6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid

C12H21N3O4 — CID 106258009

IUPAC6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
SMILESCN1CCC(NC(=O)NCCCCCC(=O)O)C1=O
InChIInChI=1S/C12H21N3O4/c1-15-8-6-9(11(15)18)14-12(19)13-7-4-2-3-5-10(16)17/h9H,2-8H2,1H3,(H,16,17)(H2,13,14,19)
InChIKeyAPNCXWWTXSCPHP-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds7

About 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid

6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid (PubChem CID 106258009) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
PubChem CID106258009
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
SMILESCN1CCC(NC(=O)NCCCCCC(=O)O)C1=O
InChIInChI=1S/C12H21N3O4/c1-15-8-6-9(11(15)18)14-12(19)13-7-4-2-3-5-10(16)17/h9H,2-8H2,1H3,(H,16,17)(H2,13,14,19)
InChIKeyAPNCXWWTXSCPHP-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic 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

3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155
3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 106257873
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
CID 106258173
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid (CID 106258009) is 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid is CN1CCC(NC(=O)NCCCCCC(=O)O)C1=O.
What is the InChIKey of 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The InChIKey is APNCXWWTXSCPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-15-8-6-9(11(15)18)14-12(19)13-7-4-2-3-5-10(16)17/h9H,2-8H2,1H3,(H,16,17)(H2,13,14,19).
What are the key properties of 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 106258009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).