4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid

C8H10ClNO3S — CID 115122846

IUPAC4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO3S/c9-6-1-2-7(14-6)10-4-5(11)3-8(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKeyDBFRPDPZBUIERT-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.65
Rot. Bonds5

About 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid

4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid (PubChem CID 115122846) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid
PubChem CID115122846
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO3S/c9-6-1-2-7(14-6)10-4-5(11)3-8(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKeyDBFRPDPZBUIERT-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(5-chlorothiophen-2-yl)amino]methyl]butanoate
CID 115252983
2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
CID 115127738
4-[(5-chlorothiophen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 115220996
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
4-[(5-chlorothiophen-2-yl)amino]butan-2-one
CID 115235367
4-[[(5-chlorothiophen-2-yl)amino]methyl]benzoic acid
CID 115221831
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
3-hydroxy-4-(4-methylsulfanylanilino)butanoic acid
CID 103232546
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoic acid
CID 103260898
3-hydroxy-4-(3,4,5-trifluoroanilino)butanoic acid
CID 103249545
N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
CID 115166906

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid (CID 115122846) is 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid is O=C(O)CC(O)CNc1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid?
The InChIKey is DBFRPDPZBUIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c9-6-1-2-7(14-6)10-4-5(11)3-8(12)13/h1-2,5,10-11H,3-4H2,(H,12,13).
What are the key properties of 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid?
4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid has a molecular weight of 235.69 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 115122846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).