Basic information
- CAS
1416351-91-1- Standard SMILES
COC(=O)C1(NC(=O)NC(=O)OC(C)(C)C)CCNCC1- InChIKey
XDPCNIZPBOXBQA-UHFFFAOYSA-N- Molecular formula
- C13H23N3O5
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.16377084
Names & identifiers
- Preferred name
- Methyl 4-(3-(tert-butoxycarbonyl)ureido)piperidine-4-carboxylate
- IUPAC
- methyl 4-[(2-methylpropan-2-yl)oxycarbonylcarbamoylamino]piperidine-4-carboxylate
- English name
- Methyl 4-(3-(tert-butoxycarbonyl)ureido)piperidine-4-carboxylate
- Molecular formula
- C13H23N3O5
- Molecular weight
- 301.34
Names & synonyms
Methyl 4-(3-(tert-butoxycarbonyl)ureido)piperidine-4-carboxylate1416351-91-1methyl 4-[(2-methylpropan-2-yl)oxycarbonylcarbamoylamino]piperidine-4-carboxylate4-Piperidinecarboxylic acid, 4-[[[[(1,1-dimethylethoxy)carbonyl]amino]carbonyl]amino]-, methyl esterMethyl 4-(3-(tert-butoxycarbonyl)-ureido)piperidine-4-carboxylateMFCD22381069SCHEMBL22962223AKOS015999025DS-17468DB-172175CS-0188128F213119
Show more names
piperidine-4-carboxylateMethyl 4-(3-(tert-butoxycarbonyl)
Methyl4-(3-(tert-butoxycarbonyl)ureido)piperidine-4-carboxylatemethyl 4-(tert-butoxycarbonylcarbamoylamino)piperidine-4-carboxylate
Database identifiers
- CAS
1416351-91-1- PubChem CID
- 66570711
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.67 · 14.67±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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