(2S)-2-(thiophene-3-carbonylamino)pentanoic acid

C10H13NO3S — CID 107564268

IUPAC(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-2-3-8(10(13)14)11-9(12)7-4-5-15-6-7/h4-6,8H,2-3H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKeyIYICIHYIMHXILU-QMMMGPOBSA-N
MW227.28 g/mol
LogP1.73
Rot. Bonds5

About (2S)-2-(thiophene-3-carbonylamino)pentanoic acid

(2S)-2-(thiophene-3-carbonylamino)pentanoic acid (PubChem CID 107564268) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (2S)-2-(thiophene-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
PubChem CID107564268
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-2-3-8(10(13)14)11-9(12)7-4-5-15-6-7/h4-6,8H,2-3H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKeyIYICIHYIMHXILU-QMMMGPOBSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
CID 61244362
3-sulfanyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 16777992
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566204
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
CID 113342255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiophene-3-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(thiophene-3-carbonylamino)pentanoic acid (CID 107564268) is (2S)-2-(thiophene-3-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(thiophene-3-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(thiophene-3-carbonylamino)pentanoic acid is CCC[C@H](NC(=O)c1ccsc1)C(=O)O.
What is the InChIKey of (2S)-2-(thiophene-3-carbonylamino)pentanoic acid?
The InChIKey is IYICIHYIMHXILU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-3-8(10(13)14)11-9(12)7-4-5-15-6-7/h4-6,8H,2-3H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(thiophene-3-carbonylamino)pentanoic acid?
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiophene-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 107564268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).