CAS 1271810-25-3 trans-1-Tert-butoxycarbonyl-4-methyl-piperidine-3-carboxylic acid (HCID 86317481)

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Basic information

CAS: 1271810-25-3
Standard SMILES: C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O
InChIKey: IFPZGYNNPYYDGA-RKDXNWHRSA-N
Molecular formula: C12H21NO4
Average molar mass: 243.3 g/mol

Names & identifiers

Preferred name: trans-1-Tert-butoxycarbonyl-4-methyl-piperidine-3-carboxylic acid
IUPAC: (3S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
English name: Trans-1-(Tert-Butoxycarbonyl)-4-Methylpiperidine-3-Carboxylic Acid
Molecular formula: C12H21NO4
Molecular weight: 243.3

Names & synonyms

1271810-25-3trans-1-tert-butoxycarbonyl-4-methyl-piperidine-3-carboxylic acidtrans-(+/-)-4-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-METHYLPIPERIDINE-3-CARBOXYLIC ACID(3S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid1932377-55-3rel-(3R,4S)-1-(tert-butoxycarbonyl)-4-methylpiperidine-3-carboxylic acidMFCD27922261(3S,4S)-1-Boc-4-methyl-piperidine-3-carboxylic acid(3S,4R)-1-tert-butoxycarbonyl-4-methyl-piperidine-3-carboxylic acidSCHEMBL25226719YQF3309

Show more names

trans-1-Boc-4-methyl-piperidine-3-carboxylic acidTrans-1-(Tert-Butoxycarbonyl)-4-Methylpiperidine-3-Carboxylic AcidTrans-1-(Tert-Butoxycarbonyl)-4-Methylpiperidine-3-Carboxylic Acid(WX611433)1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-

YQF3873IFPZGYNNPYYDGA-RKDXNWHRSA-N1932626-34-0MFCD27952801

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 308

Physicochemical properties

Boiling point: 359.5 · 359.5±35.0 °C(Predicted)
Density: 1.121 · 1.121±0.06 g/cm3(Predicted)
pka: 4.5 · 4.50±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers23 total

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

海济医药科技（苏州）有限公司18012778619 · [email protected]

宁波苯康基石医药科技有限公司15990591583

Related reactions

2 records

New reaction record

HRID 1808707As productuspto-grants-2013_01

HRID 1808708As reactantuspto-grants-2013_01

Compound notes

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