2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid

C15H18N2O4 — CID 129467310

IUPAC2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
SMILESCN1CC[C@H](C(=O)Nc2ccccc2CC(=O)O)CC1=O
InChIInChI=1S/C15H18N2O4/c1-17-7-6-11(8-13(17)18)15(21)16-12-5-3-2-4-10(12)9-14(19)20/h2-5,11H,6-9H2,1H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyRRAYUABOVBMPDZ-NSHDSACASA-N
MW290.32 g/mol
LogP1.12
Rot. Bonds4

About 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid

2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid (PubChem CID 129467310) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
PubChem CID129467310
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
SMILESCN1CC[C@H](C(=O)Nc2ccccc2CC(=O)O)CC1=O
InChIInChI=1S/C15H18N2O4/c1-17-7-6-11(8-13(17)18)15(21)16-12-5-3-2-4-10(12)9-14(19)20/h2-5,11H,6-9H2,1H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyRRAYUABOVBMPDZ-NSHDSACASA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(2-phenylmethoxy-3-pyridinyl)piperidine-4-carboxamide
CID 75461391
N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119439924
N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167834230
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201075
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
(4R)-N-(1-benzylimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 97313572
2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245555
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167805385

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid (CID 129467310) is 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid is CN1CC[C@H](C(=O)Nc2ccccc2CC(=O)O)CC1=O.
What is the InChIKey of 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid?
The InChIKey is RRAYUABOVBMPDZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17-7-6-11(8-13(17)18)15(21)16-12-5-3-2-4-10(12)9-14(19)20/h2-5,11H,6-9H2,1H3,(H,16,21)(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid?
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 129467310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).