4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

C13H23N3O4 — CID 64670249

IUPAC4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)6-10(12(18)19)15-13(20)14-9-4-5-11(17)16(3)7-9/h8-10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)
InChIKeyHRCCZYLEEIGVND-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds5

About 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 64670249) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID64670249
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)6-10(12(18)19)15-13(20)14-9-4-5-11(17)16(3)7-9/h8-10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)
InChIKeyHRCCZYLEEIGVND-UHFFFAOYSA-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 4-methyl-2-[(1-methyl-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

(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 108876082
2-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 79801781

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (CID 64670249) is 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is CC(C)CC(NC(=O)NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is HRCCZYLEEIGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)6-10(12(18)19)15-13(20)14-9-4-5-11(17)16(3)7-9/h8-10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]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 4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 64670249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).