2-methoxyethanamine;2-(phosphonomethylamino)acetic acid

C6H17N2O6P — CID 88798173

IUPAC2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
SMILESCOCCN.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.C3H9NO/c5-3(6)1-4-2-10(7,8)9;1-5-3-2-4/h4H,1-2H2,(H,5,6)(H2,7,8,9);2-4H2,1H3
InChIKeySSUHCPQCQOVZBU-UHFFFAOYSA-N
MW244.18 g/mol
LogP-1.61
Rot. Bonds6

About 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid

2-methoxyethanamine;2-(phosphonomethylamino)acetic acid (PubChem CID 88798173) has the molecular formula C6H17N2O6P and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Name2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
PubChem CID88798173
Molecular FormulaC6H17N2O6P
Molecular Weight244.18 g/mol
Exact Mass244.08
IUPAC Name2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
SMILESCOCCN.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.C3H9NO/c5-3(6)1-4-2-10(7,8)9;1-5-3-2-4/h4H,1-2H2,(H,5,6)(H2,7,8,9);2-4H2,1H3
InChIKeySSUHCPQCQOVZBU-UHFFFAOYSA-N
XLogP-1.61
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;2-(phosphonomethylamino)acetic acid
CID 11615303
calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
2-chloroethyl(trimethyl)azanium;2-(phosphonomethylamino)acetic acid
CID 87279763
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
CID 161005171
2-(phosphonomethylamino)acetic acid;(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 67908754
[(2-heptoxy-2-oxoethyl)amino]methylphosphonic acid
CID 86159815
sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid?
The IUPAC name of 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid (CID 88798173) is 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid?
The canonical SMILES for 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid is COCCN.O=C(O)CNCP(=O)(O)O.
What is the InChIKey of 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid?
The InChIKey is SSUHCPQCQOVZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.C3H9NO/c5-3(6)1-4-2-10(7,8)9;1-5-3-2-4/h4H,1-2H2,(H,5,6)(H2,7,8,9);2-4H2,1H3.
What are the key properties of 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid?
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid has a molecular weight of 244.18 g/mol, XLogP of -1.61, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanamine;2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 88798173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).