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

C17H19NO3 — CID 2084038

IUPAC(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H19NO3/c1-11(2)16(17(20)21)18-15(19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21)/t16-/m0/s1
InChIKeyUCAURZDMFQZLRB-INIZCTEOSA-N
MW285.34 g/mol
LogP2.61
Rot. Bonds5

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

(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid (PubChem CID 2084038) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
PubChem CID2084038
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H19NO3/c1-11(2)16(17(20)21)18-15(19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21)/t16-/m0/s1
InChIKeyUCAURZDMFQZLRB-INIZCTEOSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 9479838
(2S)-2-[[2-[6-[4-[2-[[(1S)-1-carboxy-2-methylpropyl]amino]-2-oxo-1-phenylethyl]phenyl]naphthalen-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 137482995
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572911
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid (CID 2084038) is (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid is CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
The InChIKey is UCAURZDMFQZLRB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)16(17(20)21)18-15(19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid?
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 2084038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).