(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid

C12H20N2O4 — CID 107144065

IUPAC(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-4-5-9(12(17)18)13-11(16)8-6-10(15)14(2)7-8/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyMJWWGMFYOGTSFA-GKAPJAKFSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds6

About (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid

(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 107144065) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID107144065
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-4-5-9(12(17)18)13-11(16)8-6-10(15)14(2)7-8/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyMJWWGMFYOGTSFA-GKAPJAKFSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]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

5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689
3-(1-carboxypentylcarbamoyl)-5-[[(1S)-1-carboxypentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 143048092
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 108800194
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (CID 107144065) is (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C1CC(=O)N(C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is MJWWGMFYOGTSFA-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-4-5-9(12(17)18)13-11(16)8-6-10(15)14(2)7-8/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107144065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).