2-[carboxymethyl(phenyl)phosphanyl]acetic acid

C10H11O4P — CID 14029592

IUPAC2-[carboxymethyl(phenyl)phosphanyl]acetic acid
SMILESO=C(O)CP(CC(=O)O)c1ccccc1
InChIInChI=1S/C10H11O4P/c11-9(12)6-15(7-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKeyWPKMDOFIHZRTBC-UHFFFAOYSA-N
MW226.17 g/mol
LogP0.96
Rot. Bonds5

About 2-[carboxymethyl(phenyl)phosphanyl]acetic acid

2-[carboxymethyl(phenyl)phosphanyl]acetic acid (PubChem CID 14029592) has the molecular formula C10H11O4P and a molecular weight of 226.17 g/mol. Its IUPAC name is 2-[carboxymethyl(phenyl)phosphanyl]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(phenyl)phosphanyl]acetic acid
PubChem CID14029592
Molecular FormulaC10H11O4P
Molecular Weight226.17 g/mol
Exact Mass226.04
IUPAC Name2-[carboxymethyl(phenyl)phosphanyl]acetic acid
SMILESO=C(O)CP(CC(=O)O)c1ccccc1
InChIInChI=1S/C10H11O4P/c11-9(12)6-15(7-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKeyWPKMDOFIHZRTBC-UHFFFAOYSA-N
XLogP0.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-diphenylphosphanylacetic acid);nickel
CID 156635270
2-chloroacetic acid;triphenylphosphane
CID 158594327
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126
chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone
CID 22505810
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868
bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
CID 173130885

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(phenyl)phosphanyl]acetic acid?
The IUPAC name of 2-[carboxymethyl(phenyl)phosphanyl]acetic acid (CID 14029592) is 2-[carboxymethyl(phenyl)phosphanyl]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(phenyl)phosphanyl]acetic acid?
The canonical SMILES for 2-[carboxymethyl(phenyl)phosphanyl]acetic acid is O=C(O)CP(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[carboxymethyl(phenyl)phosphanyl]acetic acid?
The InChIKey is WPKMDOFIHZRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O4P/c11-9(12)6-15(7-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(phenyl)phosphanyl]acetic acid?
2-[carboxymethyl(phenyl)phosphanyl]acetic acid has a molecular weight of 226.17 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(phenyl)phosphanyl]acetic acid is sourced from PubChem (CID 14029592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).