(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C11H22N2O4 — CID 66790467

IUPAC(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H13NO2.C5H9NO2/c1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8)/t5-;4-/m00/s1
InChIKeyRVGWDXKWRWBDJG-VDQHJUMDSA-N
MW246.31 g/mol
LogP0.27
Rot. Bonds4

About (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 66790467) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID66790467
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H13NO2.C5H9NO2/c1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8)/t5-;4-/m00/s1
InChIKeyRVGWDXKWRWBDJG-VDQHJUMDSA-N
XLogP0.27
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-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

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70259627
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174461355
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
CID 22457430
CID 67175874
CID 67175874
(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 141203055
(2S)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 67631143
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20598904
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 66790467) is (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is RVGWDXKWRWBDJG-VDQHJUMDSA-N. The full InChI is InChI=1S/C6H13NO2.C5H9NO2/c1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8)/t5-;4-/m00/s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66790467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).