2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid

C17H21NO3 — CID 119359115

IUPAC2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC12CCCc1ccccc12
InChIInChI=1S/C17H21NO3/c1-11(16(20)21)18(2)15(19)14-10-17(14)9-5-7-12-6-3-4-8-13(12)17/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,20,21)
InChIKeyDMSGEZCYPRZKIO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.21
Rot. Bonds3

About 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid

2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid (PubChem CID 119359115) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
PubChem CID119359115
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC12CCCc1ccccc12
InChIInChI=1S/C17H21NO3/c1-11(16(20)21)18(2)15(19)14-10-17(14)9-5-7-12-6-3-4-8-13(12)17/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,20,21)
InChIKeyDMSGEZCYPRZKIO-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid (CID 119359115) is 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CC12CCCc1ccccc12.
What is the InChIKey of 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
The InChIKey is DMSGEZCYPRZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(16(20)21)18(2)15(19)14-10-17(14)9-5-7-12-6-3-4-8-13(12)17/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119359115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).