(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid

C20H28N2O4 — CID 119193921

IUPAC(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)O
InChIInChI=1S/C20H28N2O4/c1-4-14(3)17(20(25)26)21-18(23)16-6-5-11-22(12-16)19(24)15-9-7-13(2)8-10-15/h7-10,14,16-17H,4-6,11-12H2,1-3H3,(H,21,23)(H,25,26)/t14-,16?,17-/m0/s1
InChIKeyRTYJEJCATPESFO-NZEUDUFCSA-N
MW360.45 g/mol
LogP2.46
Rot. Bonds6

About (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119193921) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID119193921
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)O
InChIInChI=1S/C20H28N2O4/c1-4-14(3)17(20(25)26)21-18(23)16-6-5-11-22(12-16)19(24)15-9-7-13(2)8-10-15/h7-10,14,16-17H,4-6,11-12H2,1-3H3,(H,21,23)(H,25,26)/t14-,16?,17-/m0/s1
InChIKeyRTYJEJCATPESFO-NZEUDUFCSA-N
XLogP2.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic 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-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119212197
1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 55715422
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622815
(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 95971953
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid (CID 119193921) is (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is RTYJEJCATPESFO-NZEUDUFCSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-14(3)17(20(25)26)21-18(23)16-6-5-11-22(12-16)19(24)15-9-7-13(2)8-10-15/h7-10,14,16-17H,4-6,11-12H2,1-3H3,(H,21,23)(H,25,26)/t14-,16?,17-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119193921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).