1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid

C12H22N2O3 — CID 63144084

IUPAC1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)CC(N)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)6-9(13)10(15)14-5-4-12(3,7-14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyZXCCTVUDNXDHBC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds4

About 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63144084) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63144084
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)CC(N)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)6-9(13)10(15)14-5-4-12(3,7-14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyZXCCTVUDNXDHBC-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic 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-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-[(2R)-2-amino-4-methylpentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 104903454
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
(2S)-2-amino-1-(4,4-dimethylazepan-1-yl)-4-methylpentan-1-one
CID 65281035
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 104903455
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 119789099
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119789098
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
CID 119784790
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
CID 119732395
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63144084) is 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid is CC(C)CC(N)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZXCCTVUDNXDHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)6-9(13)10(15)14-5-4-12(3,7-14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).