2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid

C15H20N2O3 — CID 104913597

IUPAC2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-5-7-12(8-6-11)17(10-14(18)19)15(20)13-4-2-3-9-16-13/h5-8,13,16H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyDEKTVPLFUDPTIN-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds4

About 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid

2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid (PubChem CID 104913597) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
PubChem CID104913597
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-5-7-12(8-6-11)17(10-14(18)19)15(20)13-4-2-3-9-16-13/h5-8,13,16H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyDEKTVPLFUDPTIN-ZDUSSCGKSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
CID 104914056
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
2-[cyclopentyl(piperidine-2-carbonyl)amino]acetic acid
CID 61159763

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid (CID 104913597) is 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)[C@@H]2CCCCN2)cc1.
What is the InChIKey of 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid?
The InChIKey is DEKTVPLFUDPTIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-7-12(8-6-11)17(10-14(18)19)15(20)13-4-2-3-9-16-13/h5-8,13,16H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid?
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid is sourced from PubChem (CID 104913597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).