(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid

C10H17NO4 — CID 30053802

IUPAC(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)3-9(13)11-5-7(12)4-8(11)10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyUCHHNEIBVJQFME-SFYZADRCSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 30053802) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID30053802
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)3-9(13)11-5-7(12)4-8(11)10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyUCHHNEIBVJQFME-SFYZADRCSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)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

(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079737
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673
(2S)-4-hydroxy-1-(2-propan-2-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 61152101
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81086839
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103156006
(2S,4R)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079611
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157499
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid (CID 30053802) is (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid is CC(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UCHHNEIBVJQFME-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)3-9(13)11-5-7(12)4-8(11)10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 30053802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).