3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid

C21H26N2O4 — CID 119189971

IUPAC3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O4/c1-15(2)14-23(12-10-20(25)26)19(24)9-11-22-21(27)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyIWNPLNQZHAKWCL-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.92
Rot. Bonds9

About 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid

3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid (PubChem CID 119189971) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
PubChem CID119189971
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O4/c1-15(2)14-23(12-10-20(25)26)19(24)9-11-22-21(27)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyIWNPLNQZHAKWCL-UHFFFAOYSA-N
XLogP2.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide
CID 55862498
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852133
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 86897663
2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
CID 75429098
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid (CID 119189971) is 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid?
The InChIKey is IWNPLNQZHAKWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)14-23(12-10-20(25)26)19(24)9-11-22-21(27)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid?
3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid has a molecular weight of 370.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119189971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).