2-[acetyl(phosphonomethyl)amino]acetic acid

C5H10NO6P — CID 23510850

IUPAC2-[acetyl(phosphonomethyl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)CP(=O)(O)O
InChIInChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)
InChIKeyBFECXRMSKVFCNB-UHFFFAOYSA-N
MW211.11 g/mol
LogP-0.95
Rot. Bonds4

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

2-[acetyl(phosphonomethyl)amino]acetic acid (PubChem CID 23510850) has the molecular formula C5H10NO6P and a molecular weight of 211.11 g/mol. Its IUPAC name is 2-[acetyl(phosphonomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(phosphonomethyl)amino]acetic acid
PubChem CID23510850
Molecular FormulaC5H10NO6P
Molecular Weight211.11 g/mol
Exact Mass211.02
IUPAC Name2-[acetyl(phosphonomethyl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)CP(=O)(O)O
InChIInChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)
InChIKeyBFECXRMSKVFCNB-UHFFFAOYSA-N
XLogP-0.95
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 5-0.95
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-[acetyl(phosphonomethyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(phosphonomethyl)amino]acetic acid (CID 23510850) is 2-[acetyl(phosphonomethyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(phosphonomethyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(phosphonomethyl)amino]acetic acid is CC(=O)N(CC(=O)O)CP(=O)(O)O.
What is the InChIKey of 2-[acetyl(phosphonomethyl)amino]acetic acid?
The InChIKey is BFECXRMSKVFCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12).
What are the key properties of 2-[acetyl(phosphonomethyl)amino]acetic acid?
2-[acetyl(phosphonomethyl)amino]acetic acid has a molecular weight of 211.11 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(phosphonomethyl)amino]acetic acid is sourced from PubChem (CID 23510850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).