(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid

C17H16ClNO3 — CID 2305123

IUPAC(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c18-14-8-6-13(7-9-14)15(11-17(21)22)19-16(20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyWHDVSHRTSIEYRK-OAHLLOKOSA-N
MW317.77 g/mol
LogP3.21
Rot. Bonds6

About (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid

(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 2305123) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
PubChem CID2305123
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c18-14-8-6-13(7-9-14)15(11-17(21)22)19-16(20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyWHDVSHRTSIEYRK-OAHLLOKOSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 5038466
(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 1266491
(3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1263720
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 53416015
(3S)-3-(4-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoic acid
CID 7045114
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid (CID 2305123) is (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid is O=C(O)C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is WHDVSHRTSIEYRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-14-8-6-13(7-9-14)15(11-17(21)22)19-16(20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 317.77 g/mol, XLogP of 3.21, 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-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 2305123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).