(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

C13H23N3O4 — CID 107566429

IUPAC(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCC(C(=O)NC)CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-4-10(12(18)19)15-13(20)16-7-5-9(6-8-16)11(17)14-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyHAGLATSVNYPDJD-JTQLQIEISA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds5

About (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 107566429) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID107566429
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCC(C(=O)NC)CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-4-10(12(18)19)15-13(20)16-7-5-9(6-8-16)11(17)14-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyHAGLATSVNYPDJD-JTQLQIEISA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[4-(methylcarbamoyl)piperidine-1-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

(2R)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104910015
2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566950
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 107566429) is (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is CCC[C@H](NC(=O)N1CCC(C(=O)NC)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is HAGLATSVNYPDJD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-4-10(12(18)19)15-13(20)16-7-5-9(6-8-16)11(17)14-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107566429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).