2-[methyl(phosphono)amino]acetic acid

C3H8NO5P — CID 13042003

IUPAC2-[methyl(phosphono)amino]acetic acid
SMILESCN(CC(=O)O)P(=O)(O)O
InChIInChI=1S/C3H8NO5P/c1-4(2-3(5)6)10(7,8)9/h2H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyQJICNAUCGTWDHE-UHFFFAOYSA-N
MW169.07 g/mol
LogP-0.90
Rot. Bonds3

About 2-[methyl(phosphono)amino]acetic acid

2-[methyl(phosphono)amino]acetic acid (PubChem CID 13042003) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is 2-[methyl(phosphono)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(phosphono)amino]acetic acid
PubChem CID13042003
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name2-[methyl(phosphono)amino]acetic acid
SMILESCN(CC(=O)O)P(=O)(O)O
InChIInChI=1S/C3H8NO5P/c1-4(2-3(5)6)10(7,8)9/h2H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyQJICNAUCGTWDHE-UHFFFAOYSA-N
XLogP-0.90
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phosphono)amino]acetic acid?
The IUPAC name of 2-[methyl(phosphono)amino]acetic acid (CID 13042003) is 2-[methyl(phosphono)amino]acetic acid.
What is the SMILES notation for 2-[methyl(phosphono)amino]acetic acid?
The canonical SMILES for 2-[methyl(phosphono)amino]acetic acid is CN(CC(=O)O)P(=O)(O)O.
What is the InChIKey of 2-[methyl(phosphono)amino]acetic acid?
The InChIKey is QJICNAUCGTWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c1-4(2-3(5)6)10(7,8)9/h2H2,1H3,(H,5,6)(H2,7,8,9).
What are the key properties of 2-[methyl(phosphono)amino]acetic acid?
2-[methyl(phosphono)amino]acetic acid has a molecular weight of 169.07 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phosphono)amino]acetic acid is sourced from PubChem (CID 13042003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).