2-aminoethanol;2-(phosphonomethylamino)acetic acid

C5H15N2O6P — CID 22138556

IUPAC2-aminoethanol;2-(phosphonomethylamino)acetic acid
SMILESNCCO.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.C2H7NO/c5-3(6)1-4-2-10(7,8)9;3-1-2-4/h4H,1-2H2,(H,5,6)(H2,7,8,9);4H,1-3H2
InChIKeyDQNPFPHZAUMZHD-UHFFFAOYSA-N
MW230.16 g/mol
LogP-2.27
Rot. Bonds5

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

2-aminoethanol;2-(phosphonomethylamino)acetic acid (PubChem CID 22138556) has the molecular formula C5H15N2O6P and a molecular weight of 230.16 g/mol. Its IUPAC name is 2-aminoethanol;2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-(phosphonomethylamino)acetic acid
PubChem CID22138556
Molecular FormulaC5H15N2O6P
Molecular Weight230.16 g/mol
Exact Mass230.07
IUPAC Name2-aminoethanol;2-(phosphonomethylamino)acetic acid
SMILESNCCO.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.C2H7NO/c5-3(6)1-4-2-10(7,8)9;3-1-2-4/h4H,1-2H2,(H,5,6)(H2,7,8,9);4H,1-3H2
InChIKeyDQNPFPHZAUMZHD-UHFFFAOYSA-N
XLogP-2.27
TPSA153.11 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.16
LogP ≤ 5-2.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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-aminoethanol;2-(phosphonomethylamino)acetic acid?
The IUPAC name of 2-aminoethanol;2-(phosphonomethylamino)acetic acid (CID 22138556) is 2-aminoethanol;2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for 2-aminoethanol;2-(phosphonomethylamino)acetic acid?
The canonical SMILES for 2-aminoethanol;2-(phosphonomethylamino)acetic acid is NCCO.O=C(O)CNCP(=O)(O)O.
What is the InChIKey of 2-aminoethanol;2-(phosphonomethylamino)acetic acid?
The InChIKey is DQNPFPHZAUMZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.C2H7NO/c5-3(6)1-4-2-10(7,8)9;3-1-2-4/h4H,1-2H2,(H,5,6)(H2,7,8,9);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-(phosphonomethylamino)acetic acid?
2-aminoethanol;2-(phosphonomethylamino)acetic acid has a molecular weight of 230.16 g/mol, XLogP of -2.27, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 22138556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).