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

C8H11NO2S — CID 18951380

IUPAC2-amino-4-thiophen-2-ylbutanoic acid
SMILESNC(CCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S/c9-7(8(10)11)4-3-6-2-1-5-12-6/h1-2,5,7H,3-4,9H2,(H,10,11)
InChIKeyABCZLTGQCHLBFB-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.09
Rot. Bonds4

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

2-amino-4-thiophen-2-ylbutanoic acid (PubChem CID 18951380) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-amino-4-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-thiophen-2-ylbutanoic acid
PubChem CID18951380
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-amino-4-thiophen-2-ylbutanoic acid
SMILESNC(CCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S/c9-7(8(10)11)4-3-6-2-1-5-12-6/h1-2,5,7H,3-4,9H2,(H,10,11)
InChIKeyABCZLTGQCHLBFB-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

2-Thiopheneacetic acid, alpha-amino-, (-)-
CID 89435
4-(2-Thienyl)Butyric Acid
CID 78386
beta-2-Thienyl-L-alanine
CID 146719
2-Thienylalanine
CID 91444
5-(2-Thienyl)valeric acid
CID 152324
3-Amino-3-(thiophen-2-yl)propanoic acid
CID 249306
4-Amino-3-(5-methyl-2-thienyl)butyric acid
CID 125916
4-Amino-3-(2-thienyl)butanoic acid
CID 131689
3-(Aminomethyl)-4-(thiophen-2-yl)butanoic acid
CID 10198102
beta-2-Thienyl-D-alanine
CID 7111750
(alphaS)-alpha-Amino-5-bromo-2-thiophenepropanoic acid
CID 2761814
(3S)-4-amino-3-thiophen-2-ylbutanoic acid
CID 15696512

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-thiophen-2-ylbutanoic acid?
The IUPAC name of 2-amino-4-thiophen-2-ylbutanoic acid (CID 18951380) is 2-amino-4-thiophen-2-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-thiophen-2-ylbutanoic acid?
The canonical SMILES for 2-amino-4-thiophen-2-ylbutanoic acid is NC(CCc1cccs1)C(=O)O.
What is the InChIKey of 2-amino-4-thiophen-2-ylbutanoic acid?
The InChIKey is ABCZLTGQCHLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-7(8(10)11)4-3-6-2-1-5-12-6/h1-2,5,7H,3-4,9H2,(H,10,11).
What are the key properties of 2-amino-4-thiophen-2-ylbutanoic acid?
2-amino-4-thiophen-2-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-2-ylbutanoic acid is sourced from PubChem (CID 18951380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).