2-[methyl(phosphonomethyl)amino]acetic acid

C4H10NO5P — CID 541499

IUPAC2-[methyl(phosphonomethyl)amino]acetic acid
SMILESCN(CC(=O)O)CP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeySGVDYFNFBJGOHB-UHFFFAOYSA-N
MW183.10 g/mol
LogP-0.86
Rot. Bonds4

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

2-[methyl(phosphonomethyl)amino]acetic acid (PubChem CID 541499) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is 2-[methyl(phosphonomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(phosphonomethyl)amino]acetic acid
PubChem CID541499
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2-[methyl(phosphonomethyl)amino]acetic acid
SMILESCN(CC(=O)O)CP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeySGVDYFNFBJGOHB-UHFFFAOYSA-N
XLogP-0.86
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
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 2-[methyl(phosphonomethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(phosphonomethyl)amino]acetic acid (CID 541499) is 2-[methyl(phosphonomethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(phosphonomethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(phosphonomethyl)amino]acetic acid is CN(CC(=O)O)CP(=O)(O)O.
What is the InChIKey of 2-[methyl(phosphonomethyl)amino]acetic acid?
The InChIKey is SGVDYFNFBJGOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-[methyl(phosphonomethyl)amino]acetic acid?
2-[methyl(phosphonomethyl)amino]acetic acid has a molecular weight of 183.10 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phosphonomethyl)amino]acetic acid is sourced from PubChem (CID 541499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).