2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid

C15H20N2O4 — CID 159355657

IUPAC2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C15H20N2O4/c18-14(19)9-13-8-12(6-7-16-13)17-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,20)(H,18,19)/t12-,13-/m0/s1
InChIKeyLHWRVPPNMYQUBB-STQMWFEESA-N
MW292.33 g/mol
LogP1.51
Rot. Bonds5

About 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid

2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid (PubChem CID 159355657) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid
PubChem CID159355657
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C15H20N2O4/c18-14(19)9-13-8-12(6-7-16-13)17-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,20)(H,18,19)/t12-,13-/m0/s1
InChIKeyLHWRVPPNMYQUBB-STQMWFEESA-N
XLogP1.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
CID 86744910
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid (CID 159355657) is 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid is O=C(O)C[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)CCN1.
What is the InChIKey of 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid?
The InChIKey is LHWRVPPNMYQUBB-STQMWFEESA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(19)9-13-8-12(6-7-16-13)17-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,20)(H,18,19)/t12-,13-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid?
2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid is sourced from PubChem (CID 159355657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).