2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid

C17H19NO3 — CID 122099616

IUPAC2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-12(17(20)21)16(19)18(2)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyCJQKNIXTAMQGDP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.56
Rot. Bonds5

About 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid

2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid (PubChem CID 122099616) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
PubChem CID122099616
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-12(17(20)21)16(19)18(2)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyCJQKNIXTAMQGDP-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic 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

(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
CID 119913312
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
2-methyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]-3-oxopropanoic acid
CID 115164386
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid (CID 122099616) is 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid is CC(C(=O)O)C(=O)N(C)CCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid?
The InChIKey is CJQKNIXTAMQGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(20)21)16(19)18(2)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid?
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 122099616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).