2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid

C15H22NO5P — CID 18630468

IUPAC2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCCOP1(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22NO5P/c1-3-5-14(15(17)18)16-10-4-11-21-22(16,19)13-8-6-12(20-2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyYGAVBTGQSLGNRX-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.49
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid

2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid (PubChem CID 18630468) has the molecular formula C15H22NO5P and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid
PubChem CID18630468
Molecular FormulaC15H22NO5P
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCCOP1(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22NO5P/c1-3-5-14(15(17)18)16-10-4-11-21-22(16,19)13-8-6-12(20-2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyYGAVBTGQSLGNRX-UHFFFAOYSA-N
XLogP2.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[2-[4-(4-chlorophenoxy)phenyl]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]pentanoate
CID 91293813
methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-4-methylpentanoate
CID 91115333
methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate
CID 86585562
2-[2-(4-methoxyphenyl)-2-oxo-4-propan-2-yl-1,3,2λ5-oxazaphosphepan-3-yl]acetate
CID 22677687
2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid
CID 70021183
ethyl 2-[2,4-bis(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]acetate
CID 10216471
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
2-[2-(4-bromophenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]acetic acid
CID 18630483
2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 118104990
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanoic acid
CID 138003859
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid (CID 18630468) is 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid is CCCC(C(=O)O)N1CCCOP1(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid?
The InChIKey is YGAVBTGQSLGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO5P/c1-3-5-14(15(17)18)16-10-4-11-21-22(16,19)13-8-6-12(20-2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid?
2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid has a molecular weight of 327.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid is sourced from PubChem (CID 18630468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).