3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid

C21H19NO3 — CID 139753355

IUPAC3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccccc1)NC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C21H19NO3/c23-20(14-15-6-2-1-3-7-15)22-19(21(24)25)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,23)(H,24,25)
InChIKeySQJDGDPXQWPVMZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.19
Rot. Bonds6

About 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid

3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 139753355) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
PubChem CID139753355
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccccc1)NC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C21H19NO3/c23-20(14-15-6-2-1-3-7-15)22-19(21(24)25)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,23)(H,24,25)
InChIKeySQJDGDPXQWPVMZ-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid
CID 175552755
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid
CID 147501226
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(3S)-4-[[(1S)-1-carboxy-2-naphthalen-2-ylethyl]amino]-4-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]butanoic acid
CID 58697721
(2S)-2-[[(2R)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid
CID 102336566

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid (CID 139753355) is 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid is O=C(Cc1ccccc1)NC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is SQJDGDPXQWPVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-20(14-15-6-2-1-3-7-15)22-19(21(24)25)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,23)(H,24,25).
What are the key properties of 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid?
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 333.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 139753355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).