[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium

C14H19NO7P+ — CID 69295089

IUPAC[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
SMILESCOc1ccccc1NCC(C(CCC(=O)O)C(=O)O)[P+](=O)O
InChIInChI=1S/C14H18NO7P/c1-22-11-5-3-2-4-10(11)15-8-12(23(20)21)9(14(18)19)6-7-13(16)17/h2-5,9,12,15H,6-8H2,1H3,(H2-,16,17,18,19,20,21)/p+1
InChIKeySOQBOWGJCAASMA-UHFFFAOYSA-O
MW344.28 g/mol
LogP1.78
Rot. Bonds10

About [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium

[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium (PubChem CID 69295089) has the molecular formula C14H19NO7P+ and a molecular weight of 344.28 g/mol. Its IUPAC name is [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
PubChem CID69295089
Molecular FormulaC14H19NO7P+
Molecular Weight344.28 g/mol
Exact Mass344.09
IUPAC Name[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
SMILESCOc1ccccc1NCC(C(CCC(=O)O)C(=O)O)[P+](=O)O
InChIInChI=1S/C14H18NO7P/c1-22-11-5-3-2-4-10(11)15-8-12(23(20)21)9(14(18)19)6-7-13(16)17/h2-5,9,12,15H,6-8H2,1H3,(H2-,16,17,18,19,20,21)/p+1
InChIKeySOQBOWGJCAASMA-UHFFFAOYSA-O
XLogP1.78
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dicarboxy-1-(3-hydroxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
CID 69296366
(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium
CID 70151667
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
3-(2-methoxyanilino)-1-phenylpropan-1-ol
CID 112510625
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
4-chloro-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 103440294
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
2-[(5-fluoro-2-methoxyanilino)methyl]-3-methylbutanoic acid
CID 115250173
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817

Frequently Asked Questions

What is the IUPAC name of [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium?
The IUPAC name of [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium (CID 69295089) is [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium.
What is the SMILES notation for [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium?
The canonical SMILES for [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium is COc1ccccc1NCC(C(CCC(=O)O)C(=O)O)[P+](=O)O.
What is the InChIKey of [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium?
The InChIKey is SOQBOWGJCAASMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18NO7P/c1-22-11-5-3-2-4-10(11)15-8-12(23(20)21)9(14(18)19)6-7-13(16)17/h2-5,9,12,15H,6-8H2,1H3,(H2-,16,17,18,19,20,21)/p+1.
What are the key properties of [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium?
[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium has a molecular weight of 344.28 g/mol, XLogP of 1.78, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium is sourced from PubChem (CID 69295089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).