4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid

C15H22N2O4S — CID 119252831

IUPAC4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)CCNC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C15H22N2O4S/c1-10(2)7-12(15(20)21)8-17-13(18)3-5-16-14(19)11-4-6-22-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeySMNQPGWQFRMRCJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.73
Rot. Bonds9

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

4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid (PubChem CID 119252831) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid
PubChem CID119252831
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)CCNC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C15H22N2O4S/c1-10(2)7-12(15(20)21)8-17-13(18)3-5-16-14(19)11-4-6-22-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeySMNQPGWQFRMRCJ-UHFFFAOYSA-N
XLogP1.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[3-[(4-nitrobenzoyl)amino]propanoylamino]methyl]pentanoic acid
CID 119252668
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
2-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]propanoic acid
CID 61263000
4-methyl-2-[(2-thiophen-3-ylpropanoylamino)methyl]pentanoic acid
CID 119253075
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid (CID 119252831) is 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid is CC(C)CC(CNC(=O)CCNC(=O)c1ccsc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid?
The InChIKey is SMNQPGWQFRMRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10(2)7-12(15(20)21)8-17-13(18)3-5-16-14(19)11-4-6-22-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid?
4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid has a molecular weight of 326.42 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 119252831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).