3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid

C17H19NO3 — CID 62965446

IUPAC3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-12(10-17(20)21)9-16(19)18-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyXZANRUAHFHNRNB-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.96
Rot. Bonds6

About 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid

3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid (PubChem CID 62965446) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
PubChem CID62965446
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-12(10-17(20)21)9-16(19)18-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyXZANRUAHFHNRNB-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
5-[(2,3-dichlorophenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 134107047
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
[(2S)-4-(tert-butylamino)-1-[[(2S)-4-(naphthalen-1-ylmethylamino)-4-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamic acid
CID 118879057

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid (CID 62965446) is 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCc1cccc2ccccc12.
What is the InChIKey of 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid?
The InChIKey is XZANRUAHFHNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(10-17(20)21)9-16(19)18-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid?
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62965446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).