3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid

C18H23NO2 — CID 65060972

IUPAC3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-4-19(12-13(2)18(20)21)14(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14H,4,12H2,1-3H3,(H,20,21)
InChIKeyOEKQHVLUPJFMSU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds6

About 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid

3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid (PubChem CID 65060972) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
PubChem CID65060972
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-4-19(12-13(2)18(20)21)14(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14H,4,12H2,1-3H3,(H,20,21)
InChIKeyOEKQHVLUPJFMSU-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
CID 65061408
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
CID 82318728
3-[1-(2,4-dimethoxyphenyl)ethyl-ethylamino]-2-methylpropanoic acid
CID 65062094
3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057116
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid (CID 65060972) is 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(C)c1cccc2ccccc12.
What is the InChIKey of 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid?
The InChIKey is OEKQHVLUPJFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19(12-13(2)18(20)21)14(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid?
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65060972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).