(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid

C13H17NO4S — CID 119364770

IUPAC(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)O)c1
InChIInChI=1S/C13H17NO4S/c1-7(2)4-10(13(17)18)14-12(16)11-5-9(6-19-11)8(3)15/h5-7,10H,4H2,1-3H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyFCKZDEHYXILUJF-SNVBAGLBSA-N
MW283.35 g/mol
LogP2.18
Rot. Bonds6

About (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119364770) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119364770
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)O)c1
InChIInChI=1S/C13H17NO4S/c1-7(2)4-10(13(17)18)14-12(16)11-5-9(6-19-11)8(3)15/h5-7,10H,4H2,1-3H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyFCKZDEHYXILUJF-SNVBAGLBSA-N
XLogP2.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253768
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119361365
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975741
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
(2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975412
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid (CID 119364770) is (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid is CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is FCKZDEHYXILUJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-7(2)4-10(13(17)18)14-12(16)11-5-9(6-19-11)8(3)15/h5-7,10H,4H2,1-3H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 283.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).