(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid

C23H21NO4 — CID 70226743

IUPAC(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid
SMILESO=C(O)CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C23H21NO4/c25-22(26)13-12-20(21-11-4-5-14-24-21)23(27)18-9-6-10-19(15-18)28-16-17-7-2-1-3-8-17/h1-11,14-15,20H,12-13,16H2,(H,25,26)/t20-/m0/s1
InChIKeyQCJDVVQQCKRWMN-FQEVSTJZSA-N
MW375.42 g/mol
LogP4.49
Rot. Bonds9

About (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid

(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid (PubChem CID 70226743) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid
PubChem CID70226743
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid
SMILESO=C(O)CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C23H21NO4/c25-22(26)13-12-20(21-11-4-5-14-24-21)23(27)18-9-6-10-19(15-18)28-16-17-7-2-1-3-8-17/h1-11,14-15,20H,12-13,16H2,(H,25,26)/t20-/m0/s1
InChIKeyQCJDVVQQCKRWMN-FQEVSTJZSA-N
XLogP4.49
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2-ethylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid
CID 70223821
4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
CID 10689868
5-[3-[(3-aminophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid
CID 22010320
(4S)-4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid
CID 10692031
methyl 4-(4-methylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoate
CID 10668818
(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid
CID 70225759
5-oxo-4-pyridin-2-yl-5-sulfanylpentanoic acid;hydrochloride
CID 142115465
4-(3-bromophenyl)-4-oxo-3-pyridin-2-ylbutanoic acid
CID 84609679
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645

Frequently Asked Questions

What is the IUPAC name of (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid?
The IUPAC name of (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid (CID 70226743) is (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid.
What is the SMILES notation for (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid?
The canonical SMILES for (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid is O=C(O)CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccn1.
What is the InChIKey of (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid?
The InChIKey is QCJDVVQQCKRWMN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(26)13-12-20(21-11-4-5-14-24-21)23(27)18-9-6-10-19(15-18)28-16-17-7-2-1-3-8-17/h1-11,14-15,20H,12-13,16H2,(H,25,26)/t20-/m0/s1.
What are the key properties of (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid?
(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid has a molecular weight of 375.42 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 70226743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).