2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid

C6H12NO4P — CID 20643327

IUPAC2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid
SMILESCP(C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H12NO4P/c1-12(2)7(3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyGHSJQMBPYLCHEE-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.11
Rot. Bonds5

About 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid

2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid (PubChem CID 20643327) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid
PubChem CID20643327
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid
SMILESCP(C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H12NO4P/c1-12(2)7(3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyGHSJQMBPYLCHEE-UHFFFAOYSA-N
XLogP0.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[bis(methylamino)amino]acetic acid;hydrochloride
CID 158852390
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
2-(dimethoxyamino)acetic acid
CID 156905250
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[carbamoyl(methoxy)amino]acetic acid
CID 55288680

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid (CID 20643327) is 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid is CP(C)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid?
The InChIKey is GHSJQMBPYLCHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-12(2)7(3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid?
2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid has a molecular weight of 193.14 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(dimethylphosphanyl)amino]acetic acid is sourced from PubChem (CID 20643327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).