4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid

C11H15NO3S — CID 16775253

IUPAC4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-7(2)5-9(11(14)15)12-10(13)8-3-4-16-6-8/h3-4,6-7,9H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPROQYAWRVFWMSK-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.98
Rot. Bonds5

About 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid

4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid (PubChem CID 16775253) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
PubChem CID16775253
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-7(2)5-9(11(14)15)12-10(13)8-3-4-16-6-8/h3-4,6-7,9H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPROQYAWRVFWMSK-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
3-sulfanyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 16777992
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
CID 61244362
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid (CID 16775253) is 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid is CC(C)CC(NC(=O)c1ccsc1)C(=O)O.
What is the InChIKey of 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid?
The InChIKey is PROQYAWRVFWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(2)5-9(11(14)15)12-10(13)8-3-4-16-6-8/h3-4,6-7,9H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid?
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 16775253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).