(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid

C24H23NO3 — CID 122689625

IUPAC(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid
SMILESO=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H23NO3/c26-23(25-22(24(27)28)16-18-10-4-1-5-11-18)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKeyOKPOWHJBMXCHGA-QFIPXVFZSA-N
MW373.45 g/mol
LogP4.02
Rot. Bonds8

About (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid

(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid (PubChem CID 122689625) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid
PubChem CID122689625
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid
SMILESO=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H23NO3/c26-23(25-22(24(27)28)16-18-10-4-1-5-11-18)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKeyOKPOWHJBMXCHGA-QFIPXVFZSA-N
XLogP4.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 5311309
CID 5311309
CID 74839
CID 74839
CID 10430040
CID 10430040
CID 2000
CID 2000
CID 6993090
CID 6993090
CID 5486715
CID 5486715
CID 111299
CID 111299
CID 6992310
CID 6992310
CID 6993120
CID 6993120
CID 76808
CID 76808
CID 446054
CID 446054
CID 4443
CID 4443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid (CID 122689625) is (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid is O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid?
The InChIKey is OKPOWHJBMXCHGA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO3/c26-23(25-22(24(27)28)16-18-10-4-1-5-11-18)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,25,26)(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid?
(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid has a molecular weight of 373.45 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 122689625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).