methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid

C10H14NO4P — CID 13101397

IUPACmethyl(phenylmethoxycarbonylaminomethyl)phosphinic acid
SMILESCP(=O)(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyWJYZLHFBKNWWDZ-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.77
Rot. Bonds4

About methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid

methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid (PubChem CID 13101397) has the molecular formula C10H14NO4P and a molecular weight of 243.20 g/mol. Its IUPAC name is methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(phenylmethoxycarbonylaminomethyl)phosphinic acid
PubChem CID13101397
Molecular FormulaC10H14NO4P
Molecular Weight243.20 g/mol
Exact Mass243.07
IUPAC Namemethyl(phenylmethoxycarbonylaminomethyl)phosphinic acid
SMILESCP(=O)(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyWJYZLHFBKNWWDZ-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid?
The IUPAC name of methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid (CID 13101397) is methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid.
What is the SMILES notation for methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid?
The canonical SMILES for methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid is CP(=O)(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid?
The InChIKey is WJYZLHFBKNWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid?
methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid has a molecular weight of 243.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenylmethoxycarbonylaminomethyl)phosphinic acid is sourced from PubChem (CID 13101397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).