(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid

C15H20N2O4 — CID 66775278

IUPAC(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCN1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-17-8-7-13(12(9-17)14(18)19)16-15(20)21-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,20)(H,18,19)/t12-,13+/m0/s1
InChIKeyQODYPRMSOLKZDW-QWHCGFSZSA-N
MW292.33 g/mol
LogP1.32
Rot. Bonds4

About (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid

(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 66775278) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID66775278
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCN1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-17-8-7-13(12(9-17)14(18)19)16-15(20)21-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,20)(H,18,19)/t12-,13+/m0/s1
InChIKeyQODYPRMSOLKZDW-QWHCGFSZSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 91439797
(3S,4S)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 145450382
(3S,4R)-1-(2-hydroxyethyl)-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67503446
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
(3R,4R)-1-(2-hydroxyethyl)-2-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775251
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
CID 130993442
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
(3R,4R)-1-[2-(5,7-difluoro-2-oxoquinolin-1-yl)ethyl]-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67502519
cis-(1S,2R)-2-amino-N-propan-2-ylcyclobutane-1-carboxamide;cis-(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 158242863

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid (CID 66775278) is (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid is CN1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](C(=O)O)C1.
What is the InChIKey of (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is QODYPRMSOLKZDW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17-8-7-13(12(9-17)14(18)19)16-15(20)21-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,20)(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 66775278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).