4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid

C12H22N2O3 — CID 114084816

IUPAC4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)[C@@H]1CNC[C@H]1C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-7(2)4-10(12(16)17)14-11(15)9-6-13-5-8(9)3/h7-10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t8-,9-,10?/m1/s1
InChIKeyZRTUBAQKGQNXHV-MGRQHWMJSA-N
MW242.32 g/mol
LogP0.46
Rot. Bonds5

About 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid

4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 114084816) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID114084816
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)[C@@H]1CNC[C@H]1C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-7(2)4-10(12(16)17)14-11(15)9-6-13-5-8(9)3/h7-10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t8-,9-,10?/m1/s1
InChIKeyZRTUBAQKGQNXHV-MGRQHWMJSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-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-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909244
2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63715316
(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
CID 98541910
(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084712
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid (CID 114084816) is 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid is CC(C)CC(NC(=O)[C@@H]1CNC[C@H]1C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is ZRTUBAQKGQNXHV-MGRQHWMJSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)4-10(12(16)17)14-11(15)9-6-13-5-8(9)3/h7-10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t8-,9-,10?/m1/s1.
What are the key properties of 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid?
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 114084816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).