tert-Butyloxycarbonylglycyl-L-proline

HCID 334755

Notes Reactions

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Basic information

CAS: 14296-92-5
Standard SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCCC1C(=O)O
InChIKey: CMSBRKBRYYDCFQ-UHFFFAOYSA-N
Molecular formula: C12H20N2O5
Average molar mass: 272.3 g/mol

Names & identifiers

Preferred name: tert-Butyloxycarbonylglycyl-L-proline
IUPAC: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
English name: Boc-Gly-Pro-OH
Molecular formula: C12H20N2O5
Molecular weight: 272.3

Names & synonyms

tert-Butyloxycarbonylglycyl-L-prolineNSC3413541-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acidSCHEMBL1925210Proline, N-tert-butyl ester, L-NSC-341354PD197027DB-063451L-Proline,1-dimethylethoxy)carbonyl]glycyl]-1-[2-(tert-butoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acidBOC-Gly-Proglycyl-

Show more names

L-NSC 341354Boc-Gly-Pro-OHN-T-boc-gly-procarbonyl]Boc-Gly-L-Pro-OHProline, N-BOC-L-GLYCYL PROLINE

Database identifiers

CAS: 14296-92-5
PubChem CID: 334755

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 375

Physicochemical properties

Melting point: 142 · 142-144℃
Boiling point: 490.9 · 490.9±40.0 °C(Predicted)
Density: 1.248 · 1.248
storage temp.: 2 · Sealed in dry,2-8°C
form: Solid
pka: 3.51 · 3.51±0.20(Predicted)
color: White to off-white
InChI: InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-7-9(15)14-6-4-5-8(14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKey: CMSBRKBRYYDCFQ-QMMMGPOBSA-N
SMILES: C(O)(=O)[C@@H]1CCCN1C(=O)CNC(OC(C)(C)C)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesBoc-Gly-Pro-OH is a Glycine (HY-Y0966) derivative[1].

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

天津莱诺贝德科技有限公司022-87899851 18522914591

江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

2 records

New reaction record

HRID 318550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1548994As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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