(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid

C14H20N2O4S — CID 107144518

IUPAC(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-3-4-6-10(14(19)20)15-12(17)9-16(2)13(18)11-7-5-8-21-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,17)(H,19,20)/t10-/m0/s1
InChIKeyGOMCGVLCKLCMOP-JTQLQIEISA-N
MW312.39 g/mol
LogP1.58
Rot. Bonds8

About (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid

(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid (PubChem CID 107144518) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
PubChem CID107144518
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-3-4-6-10(14(19)20)15-12(17)9-16(2)13(18)11-7-5-8-21-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,17)(H,19,20)/t10-/m0/s1
InChIKeyGOMCGVLCKLCMOP-JTQLQIEISA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 62478757
(2R)-4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 107821254
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62695136
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]hexanoic acid
CID 120614545
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
(2S)-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 120614324
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid (CID 107144518) is (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid?
The InChIKey is GOMCGVLCKLCMOP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-4-6-10(14(19)20)15-12(17)9-16(2)13(18)11-7-5-8-21-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,17)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid?
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 107144518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).