(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid

C8H8ClNO3S — CID 110836827

IUPAC(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1cc(Cl)cs1)C(=O)O
InChIInChI=1S/C8H8ClNO3S/c1-4(8(12)13)10-7(11)6-2-5(9)3-14-6/h2-4H,1H3,(H,10,11)(H,12,13)/t4-/m0/s1
InChIKeyHCQMPUDSCSBJSG-BYPYZUCNSA-N
MW233.68 g/mol
LogP1.60
Rot. Bonds3

About (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid

(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid (PubChem CID 110836827) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid
PubChem CID110836827
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1cc(Cl)cs1)C(=O)O
InChIInChI=1S/C8H8ClNO3S/c1-4(8(12)13)10-7(11)6-2-5(9)3-14-6/h2-4H,1H3,(H,10,11)(H,12,13)/t4-/m0/s1
InChIKeyHCQMPUDSCSBJSG-BYPYZUCNSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
3-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid
CID 110836834
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
2-amino-1-(4-chlorothiophen-2-yl)ethanone
CID 57455763
(2R)-2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 54991059
2-[(4-chloro-2-ethyl-6-methylbenzoyl)amino]propanoic acid
CID 91345980
4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 167915483
2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid
CID 169223700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid (CID 110836827) is (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1cc(Cl)cs1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is HCQMPUDSCSBJSG-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-4(8(12)13)10-7(11)6-2-5(9)3-14-6/h2-4H,1H3,(H,10,11)(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid?
(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 233.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).