(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C14H14N2O4S — CID 64713875

IUPAC(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H14N2O4S/c17-9-7-11(14(19)20)16(8-9)13(18)12-10(3-6-21-12)15-4-1-2-5-15/h1-6,9,11,17H,7-8H2,(H,19,20)/t9-,11-/m0/s1
InChIKeyWQLNIPFWOBLXRY-ONGXEEELSA-N
MW306.34 g/mol
LogP1.20
Rot. Bonds3

About (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 64713875) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID64713875
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H14N2O4S/c17-9-7-11(14(19)20)16(8-9)13(18)12-10(3-6-21-12)15-4-1-2-5-15/h1-6,9,11,17H,7-8H2,(H,19,20)/t9-,11-/m0/s1
InChIKeyWQLNIPFWOBLXRY-ONGXEEELSA-N
XLogP1.20
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)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

[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681471
(2S)-4-hydroxy-1-(3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61152228
cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113447652
(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104742427
1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103399931
(2R,4R)-4-hydroxy-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000253
(2S,4R)-4-hydroxy-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842201
(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65204163
(2S)-4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151805
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 64713875) is (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1sccc1-n1cccc1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WQLNIPFWOBLXRY-ONGXEEELSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-9-7-11(14(19)20)16(8-9)13(18)12-10(3-6-21-12)15-4-1-2-5-15/h1-6,9,11,17H,7-8H2,(H,19,20)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).