3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid

C19H22N2O4 — CID 119169798

IUPAC3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
SMILESCC(C)C(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-12(2)17(19(24)25)21-16(22)9-10-20-18(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyIOWVYDKTGSJOIE-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.19
Rot. Bonds7

About 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid

3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid (PubChem CID 119169798) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
PubChem CID119169798
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
SMILESCC(C)C(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-12(2)17(19(24)25)21-16(22)9-10-20-18(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyIOWVYDKTGSJOIE-UHFFFAOYSA-N
XLogP2.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic 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

N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 97247817
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid (CID 119169798) is 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid is CC(C)C(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid?
The InChIKey is IOWVYDKTGSJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)17(19(24)25)21-16(22)9-10-20-18(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid?
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid has a molecular weight of 342.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid is sourced from PubChem (CID 119169798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).