2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid

C13H19NO3S — CID 65285828

IUPAC2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1cccs1
InChIInChI=1S/C13H19NO3S/c1-9(13(16)17)5-3-6-10(2)14-12(15)11-7-4-8-18-11/h4,7-10H,3,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLLSAFYBNSRXHQN-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.76
Rot. Bonds7

About 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid

2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid (PubChem CID 65285828) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
PubChem CID65285828
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1cccs1
InChIInChI=1S/C13H19NO3S/c1-9(13(16)17)5-3-6-10(2)14-12(15)11-7-4-8-18-11/h4,7-10H,3,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLLSAFYBNSRXHQN-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid (CID 65285828) is 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)c1cccs1.
What is the InChIKey of 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid?
The InChIKey is LLSAFYBNSRXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(13(16)17)5-3-6-10(2)14-12(15)11-7-4-8-18-11/h4,7-10H,3,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid?
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid is sourced from PubChem (CID 65285828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).