3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid

C17H19NO3 — CID 81063161

IUPAC3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
SMILESCC(CNC(=O)Cc1cccc2ccccc12)CC(=O)O
InChIInChI=1S/C17H19NO3/c1-12(9-17(20)21)11-18-16(19)10-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyOUAPCYOZDNTKSE-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.61
Rot. Bonds6

About 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid

3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid (PubChem CID 81063161) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
PubChem CID81063161
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
SMILESCC(CNC(=O)Cc1cccc2ccccc12)CC(=O)O
InChIInChI=1S/C17H19NO3/c1-12(9-17(20)21)11-18-16(19)10-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyOUAPCYOZDNTKSE-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
4-[(2-benzo[e][1]benzofuran-2-ylacetyl)amino]-3-methylbutanoic acid
CID 120537096
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
4-benzamido-3-methylbutanoic acid
CID 81064617

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid (CID 81063161) is 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid is CC(CNC(=O)Cc1cccc2ccccc12)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The InChIKey is OUAPCYOZDNTKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(9-17(20)21)11-18-16(19)10-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 81063161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).