2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

C12H21N3O4 — CID 104686679

IUPAC2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NC1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(11(17)18)3-2-6-13-12(19)15-9-4-5-10(16)14-7-9/h8-9H,2-7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyPPZRHRLZXMXZMZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.07
Rot. Bonds6

About 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 104686679) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID104686679
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NC1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(11(17)18)3-2-6-13-12(19)15-9-4-5-10(16)14-7-9/h8-9H,2-7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyPPZRHRLZXMXZMZ-UHFFFAOYSA-N
XLogP0.07
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]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-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55232480
1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
CID 71971487
(2S)-3,3-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 63661261
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-amino-N-(6-oxopiperidin-3-yl)pentanamide
CID 63661228
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
1-butyl-3-(6-oxopiperidin-3-yl)thiourea
CID 116508630
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (CID 104686679) is 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is CC(CCCNC(=O)NC1CCC(=O)NC1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is PPZRHRLZXMXZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(11(17)18)3-2-6-13-12(19)15-9-4-5-10(16)14-7-9/h8-9H,2-7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 104686679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).