2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid

C5H13NO8P2 — CID 58503097

IUPAC2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid
SMILESCOP(=O)(O)CN(CC(=O)O)CP(=O)(O)O
InChIInChI=1S/C5H13NO8P2/c1-14-16(12,13)4-6(2-5(7)8)3-15(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)
InChIKeyDDMGVDHGLORDHJ-UHFFFAOYSA-N
MW277.11 g/mol
LogP-0.70
Rot. Bonds7

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

2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid (PubChem CID 58503097) has the molecular formula C5H13NO8P2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid
PubChem CID58503097
Molecular FormulaC5H13NO8P2
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC Name2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid
SMILESCOP(=O)(O)CN(CC(=O)O)CP(=O)(O)O
InChIInChI=1S/C5H13NO8P2/c1-14-16(12,13)4-6(2-5(7)8)3-15(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)
InChIKeyDDMGVDHGLORDHJ-UHFFFAOYSA-N
XLogP-0.70
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)
CID 85470348
[(3,3-dimethyl-2-oxobutyl)-(phosphonomethyl)amino]methylphosphonic acid
CID 58554643
methoxy(methoxymethyl)phosphinic acid
CID 54547216
carbon dioxide;2-[carboxymethyl(phosphonomethyl)amino]acetic acid;methanol;4-phosphonobutanoic acid
CID 161417548
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid
CID 88770779
azane;[phosphonomethyl(propyl)amino]methylphosphonic acid
CID 138397255
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid?
The IUPAC name of 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid (CID 58503097) is 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid.
What is the SMILES notation for 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid?
The canonical SMILES for 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid is COP(=O)(O)CN(CC(=O)O)CP(=O)(O)O.
What is the InChIKey of 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid?
The InChIKey is DDMGVDHGLORDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO8P2/c1-14-16(12,13)4-6(2-5(7)8)3-15(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11).
What are the key properties of 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid?
2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid has a molecular weight of 277.11 g/mol, XLogP of -0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid is sourced from PubChem (CID 58503097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).