(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid

C19H17NO2 — CID 66662980

IUPAC(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O
InChIInChI=1S/C19H17NO2/c20-18(19(21)22)11-13-5-7-15(8-6-13)17-10-9-14-3-1-2-4-16(14)12-17/h1-10,12,18H,11,20H2,(H,21,22)/t18-/m0/s1
InChIKeyATLYCIDRXNGNDM-SFHVURJKSA-N
MW291.35 g/mol
LogP3.46
Rot. Bonds4

About (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid

(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid (PubChem CID 66662980) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
PubChem CID66662980
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O
InChIInChI=1S/C19H17NO2/c20-18(19(21)22)11-13-5-7-15(8-6-13)17-10-9-14-3-1-2-4-16(14)12-17/h1-10,12,18H,11,20H2,(H,21,22)/t18-/m0/s1
InChIKeyATLYCIDRXNGNDM-SFHVURJKSA-N
XLogP3.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
(2S)-2-amino-3-[4-(1-benzofuran-2-yl)phenyl]propanoic acid
CID 68534596
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid (CID 66662980) is (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid is N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid?
The InChIKey is ATLYCIDRXNGNDM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17NO2/c20-18(19(21)22)11-13-5-7-15(8-6-13)17-10-9-14-3-1-2-4-16(14)12-17/h1-10,12,18H,11,20H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid?
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid is sourced from PubChem (CID 66662980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).