2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid

C16H17NO3 — CID 150245391

IUPAC2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)N(C)C(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11(18)17(2)15(16(19)20)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyFYKBQMNUPHCZRP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.31
Rot. Bonds4

About 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid

2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid (PubChem CID 150245391) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
PubChem CID150245391
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)N(C)C(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11(18)17(2)15(16(19)20)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyFYKBQMNUPHCZRP-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762
(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one
CID 153494762
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
[1-[[1-[acetamido(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
CID 18704643
4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid
CID 22928341
N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 18704633
[1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
CID 18704630
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
CID 19703222
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid (CID 150245391) is 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid is CC(=O)N(C)C(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is FYKBQMNUPHCZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)17(2)15(16(19)20)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 150245391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).