2-amino-3-(5-chlorothiophen-3-yl)butanoic acid

C8H10ClNO2S — CID 164662267

IUPAC2-amino-3-(5-chlorothiophen-3-yl)butanoic acid
SMILESCC(c1csc(Cl)c1)C(N)C(=O)O
InChIInChI=1S/C8H10ClNO2S/c1-4(7(10)8(11)12)5-2-6(9)13-3-5/h2-4,7H,10H2,1H3,(H,11,12)
InChIKeyMPKCBLLCSXWPJN-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid

2-amino-3-(5-chlorothiophen-3-yl)butanoic acid (PubChem CID 164662267) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-chlorothiophen-3-yl)butanoic acid
PubChem CID164662267
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-amino-3-(5-chlorothiophen-3-yl)butanoic acid
SMILESCC(c1csc(Cl)c1)C(N)C(=O)O
InChIInChI=1S/C8H10ClNO2S/c1-4(7(10)8(11)12)5-2-6(9)13-3-5/h2-4,7H,10H2,1H3,(H,11,12)
InChIKeyMPKCBLLCSXWPJN-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid
CID 130820112
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
4-(1-bromoethyl)-2-chlorothiophene
CID 174383699
2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
CID 130639383
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
(2S)-2-amino-3-(4-fluoro-3,5-diformylphenyl)butanoic acid
CID 87406130
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365
(2S,3R)-2-amino-3-(4-nitrophenyl)butanoic acid
CID 14598190
1-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 114083038
N-[4-(1-amino-1-carboxypropan-2-yl)phenyl]methanimine oxide
CID 89211405
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid?
The IUPAC name of 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid (CID 164662267) is 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid is CC(c1csc(Cl)c1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid?
The InChIKey is MPKCBLLCSXWPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-4(7(10)8(11)12)5-2-6(9)13-3-5/h2-4,7H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid?
2-amino-3-(5-chlorothiophen-3-yl)butanoic acid has a molecular weight of 219.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chlorothiophen-3-yl)butanoic acid is sourced from PubChem (CID 164662267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).