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

C11H15NO3S — CID 42150236

IUPAC(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyLCTAEUBODKGXEU-QMMMGPOBSA-N
MW241.31 g/mol
LogP1.98
Rot. Bonds5

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

(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid (PubChem CID 42150236) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
PubChem CID42150236
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyLCTAEUBODKGXEU-QMMMGPOBSA-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

(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
ethyl (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoate
CID 125041848
(2S)-4-methyl-2-[[4-[(thiophene-2-carbonylamino)methyl]benzoyl]amino]pentanoic acid
CID 119361616
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
2-[[2-chloro-4-(thiophene-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 23799051
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
CID 65285828
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid (CID 42150236) is (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid is CC(C)C[C@H](NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid?
The InChIKey is LCTAEUBODKGXEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid?
(2S)-4-methyl-2-(thiophene-2-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 (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 42150236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).