(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid

C13H14N2O4S — CID 107822891

IUPAC(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1sccc1-n1cccc1
InChIInChI=1S/C13H14N2O4S/c16-7-3-9(13(18)19)14-12(17)11-10(4-8-20-11)15-5-1-2-6-15/h1-2,4-6,8-9,16H,3,7H2,(H,14,17)(H,18,19)/t9-/m1/s1
InChIKeyYGGNVPOTNWEANI-SECBINFHSA-N
MW294.33 g/mol
LogP1.10
Rot. Bonds6

About (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 107822891) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID107822891
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1sccc1-n1cccc1
InChIInChI=1S/C13H14N2O4S/c16-7-3-9(13(18)19)14-12(17)11-10(4-8-20-11)15-5-1-2-6-15/h1-2,4-6,8-9,16H,3,7H2,(H,14,17)(H,18,19)/t9-/m1/s1
InChIKeyYGGNVPOTNWEANI-SECBINFHSA-N
XLogP1.10
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695671
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 61246350
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
(2S)-4-hydroxy-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 107822185
N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 123197018
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid (CID 107822891) is (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid is O=C(N[C@H](CCO)C(=O)O)c1sccc1-n1cccc1.
What is the InChIKey of (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is YGGNVPOTNWEANI-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-7-3-9(13(18)19)14-12(17)11-10(4-8-20-11)15-5-1-2-6-15/h1-2,4-6,8-9,16H,3,7H2,(H,14,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 294.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107822891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).