(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid

C21H18ClNO3 — CID 1266491

IUPAC(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c22-17-10-8-15(9-11-17)19(13-21(25)26)23-20(24)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,19H,12-13H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyOPPZRSXPWMXART-LJQANCHMSA-N
MW367.83 g/mol
LogP4.37
Rot. Bonds6

About (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid

(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid (PubChem CID 1266491) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
PubChem CID1266491
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c22-17-10-8-15(9-11-17)19(13-21(25)26)23-20(24)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,19H,12-13H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyOPPZRSXPWMXART-LJQANCHMSA-N
XLogP4.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 5038466
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
(3S)-3-(4-chlorophenyl)-3-[[(2R)-2-phenylbutanoyl]amino]propanoic acid
CID 7045314
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
(3S)-3-(4-chlorophenyl)-3-(2-phenylbutanoylamino)propanoic acid
CID 120606635

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid (CID 1266491) is (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid is O=C(O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The InChIKey is OPPZRSXPWMXART-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-17-10-8-15(9-11-17)19(13-21(25)26)23-20(24)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,19H,12-13H2,(H,23,24)(H,25,26)/t19-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid?
(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid has a molecular weight of 367.83 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 1266491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).