2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid

C17H21NO2 — CID 82318728

IUPAC2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
SMILESCC(CN(c1cccc2ccccc12)C(C)C)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(2)18(11-13(3)17(19)20)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13H,11H2,1-3H3,(H,19,20)
InChIKeyMLMUVMRBKLGSAG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.78
Rot. Bonds5

About 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid

2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid (PubChem CID 82318728) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
PubChem CID82318728
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
SMILESCC(CN(c1cccc2ccccc12)C(C)C)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(2)18(11-13(3)17(19)20)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13H,11H2,1-3H3,(H,19,20)
InChIKeyMLMUVMRBKLGSAG-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[naphthalen-1-yl(propan-2-yl)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

Related Compounds

3-(2-fluoro-N-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318676
2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid
CID 82319684
(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
CID 125045111
2-[amino(naphthalen-1-yl)amino]propanoic acid
CID 68905230
2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)-propan-2-ylamino]propanoic acid
CID 82310044
3-[N-(1-carboxyethyl)-2-chloroanilino]-2-methylpropanoic acid
CID 82317218
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
1,3-dimethyl-1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]urea
CID 102087616
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
3-(4-bromo-N-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318715
3-[N-(1-carboxyethyl)-3-chloro-2-methylanilino]-2-methylpropanoic acid
CID 82317224
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid (CID 82318728) is 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid is CC(CN(c1cccc2ccccc12)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid?
The InChIKey is MLMUVMRBKLGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)18(11-13(3)17(19)20)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid?
2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 82318728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).