(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid

C20H17NO3 — CID 18652421

IUPAC(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
SMILESO=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1
InChIInChI=1S/C20H17NO3/c22-19(16-7-2-1-3-8-16)21-18(20(23)24)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,18H,13H2,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyBEVXZNGXVWEMDU-SFHVURJKSA-N
MW319.36 g/mol
LogP3.27
Rot. Bonds5

About (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid

(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid (PubChem CID 18652421) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
PubChem CID18652421
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
SMILESO=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1
InChIInChI=1S/C20H17NO3/c22-19(16-7-2-1-3-8-16)21-18(20(23)24)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,18H,13H2,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyBEVXZNGXVWEMDU-SFHVURJKSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
2-benzamido-3-(6-benzoyloxynaphthalen-2-yl)propanoic acid
CID 141449215
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid
CID 147501226
(2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 12681284
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid (CID 18652421) is (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid is O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid?
The InChIKey is BEVXZNGXVWEMDU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(16-7-2-1-3-8-16)21-18(20(23)24)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,18H,13H2,(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid?
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 18652421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).