2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid

C31H29NO4 — CID 156633130

IUPAC2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid
SMILESO=C(OCc1ccccc1)N1CCCC1CC(C(=O)O)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H29NO4/c33-29(34)31(26-14-5-2-6-15-26,27-18-17-24-12-7-8-13-25(24)20-27)21-28-16-9-19-32(28)30(35)36-22-23-10-3-1-4-11-23/h1-8,10-15,17-18,20,28H,9,16,19,21-22H2,(H,33,34)
InChIKeyIXDHQIHIZXPMCP-UHFFFAOYSA-N
MW479.58 g/mol
LogP6.40
Rot. Bonds7

About 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid

2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid (PubChem CID 156633130) has the molecular formula C31H29NO4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid
PubChem CID156633130
Molecular FormulaC31H29NO4
Molecular Weight479.58 g/mol
Exact Mass479.21
IUPAC Name2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid
SMILESO=C(OCc1ccccc1)N1CCCC1CC(C(=O)O)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H29NO4/c33-29(34)31(26-14-5-2-6-15-26,27-18-17-24-12-7-8-13-25(24)20-27)21-28-16-9-19-32(28)30(35)36-22-23-10-3-1-4-11-23/h1-8,10-15,17-18,20,28H,9,16,19,21-22H2,(H,33,34)
InChIKeyIXDHQIHIZXPMCP-UHFFFAOYSA-N
XLogP6.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid?
The IUPAC name of 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid (CID 156633130) is 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid is O=C(OCc1ccccc1)N1CCCC1CC(C(=O)O)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid?
The InChIKey is IXDHQIHIZXPMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO4/c33-29(34)31(26-14-5-2-6-15-26,27-18-17-24-12-7-8-13-25(24)20-27)21-28-16-9-19-32(28)30(35)36-22-23-10-3-1-4-11-23/h1-8,10-15,17-18,20,28H,9,16,19,21-22H2,(H,33,34).
What are the key properties of 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid?
2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid has a molecular weight of 479.58 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-phenyl-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)propanoic acid is sourced from PubChem (CID 156633130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).