(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid

C19H20ClNO3 — CID 53340951

IUPAC(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c20-16-8-4-7-15(11-16)12-18(22)21-17(13-19(23)24)10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyYZKYJHIRUIDSSX-QGZVFWFLSA-N
MW345.83 g/mol
LogP3.47
Rot. Bonds8

About (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid

(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid (PubChem CID 53340951) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
PubChem CID53340951
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c20-16-8-4-7-15(11-16)12-18(22)21-17(13-19(23)24)10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyYZKYJHIRUIDSSX-QGZVFWFLSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
CID 67361266
3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
CID 67359751
3-(3-carboxypropanoylamino)-5-phenylpentanoic acid
CID 57140323
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(4-cyanophenyl)butanoic acid
CID 67360113
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid (CID 53340951) is (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid is O=C(O)C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is YZKYJHIRUIDSSX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-16-8-4-7-15(11-16)12-18(22)21-17(13-19(23)24)10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,21,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid?
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 345.83 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 53340951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).