phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate

C23H23NO3 — CID 9138862

IUPACphenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Oc1ccccc1
InChIInChI=1S/C23H23NO3/c1-16(2)22(23(26)27-19-12-4-3-5-13-19)24-21(25)15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14,16,22H,15H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyNQGWQSBBSZOEDN-QFIPXVFZSA-N
MW361.44 g/mol
LogP4.13
Rot. Bonds6

About phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate

phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate (PubChem CID 9138862) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate.

Molecular Properties

Compound Namephenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
PubChem CID9138862
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Namephenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Oc1ccccc1
InChIInChI=1S/C23H23NO3/c1-16(2)22(23(26)27-19-12-4-3-5-13-19)24-21(25)15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14,16,22H,15H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyNQGWQSBBSZOEDN-QFIPXVFZSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572911
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
(4,6-diamino-1,3,5-triazin-2-yl)methyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 8847702
2-(4-fluorophenoxy)ethyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572927
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 8847651
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 9479838
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7999144
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 8563039

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate?
The IUPAC name of phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate (CID 9138862) is phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate.
What is the SMILES notation for phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate?
The canonical SMILES for phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate is CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate?
The InChIKey is NQGWQSBBSZOEDN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16(2)22(23(26)27-19-12-4-3-5-13-19)24-21(25)15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14,16,22H,15H2,1-2H3,(H,24,25)/t22-/m0/s1.
What are the key properties of phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate?
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate has a molecular weight of 361.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate is sourced from PubChem (CID 9138862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).