2-amino-4-thiophen-3-ylbutanoic acid

C8H11NO2S — CID 18951372

IUPAC2-amino-4-thiophen-3-ylbutanoic acid
SMILESNC(CCc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO2S/c9-7(8(10)11)2-1-6-3-4-12-5-6/h3-5,7H,1-2,9H2,(H,10,11)
InChIKeySOQXOGOPSSWYCB-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-4-thiophen-3-ylbutanoic acid

2-amino-4-thiophen-3-ylbutanoic acid (PubChem CID 18951372) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-amino-4-thiophen-3-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-thiophen-3-ylbutanoic acid
PubChem CID18951372
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-amino-4-thiophen-3-ylbutanoic acid
SMILESNC(CCc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO2S/c9-7(8(10)11)2-1-6-3-4-12-5-6/h3-5,7H,1-2,9H2,(H,10,11)
InChIKeySOQXOGOPSSWYCB-UHFFFAOYSA-N
XLogP1.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
CID 116593795
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 78069023
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
2-amino-3-(4-thiophen-3-ylphenyl)propanoic acid
CID 12968479
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-thiophen-3-ylbutanoic acid?
The IUPAC name of 2-amino-4-thiophen-3-ylbutanoic acid (CID 18951372) is 2-amino-4-thiophen-3-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-thiophen-3-ylbutanoic acid?
The canonical SMILES for 2-amino-4-thiophen-3-ylbutanoic acid is NC(CCc1ccsc1)C(=O)O.
What is the InChIKey of 2-amino-4-thiophen-3-ylbutanoic acid?
The InChIKey is SOQXOGOPSSWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-7(8(10)11)2-1-6-3-4-12-5-6/h3-5,7H,1-2,9H2,(H,10,11).
What are the key properties of 2-amino-4-thiophen-3-ylbutanoic acid?
2-amino-4-thiophen-3-ylbutanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-thiophen-3-ylbutanoic acid is sourced from PubChem (CID 18951372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).