2-(phosphonoamino)acetic acid;phosphoric acid

C2H9NO9P2 — CID 175394349

IUPAC2-(phosphonoamino)acetic acid;phosphoric acid
SMILESO=C(O)CNP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/C2H6NO5P.H3O4P/c4-2(5)1-3-9(6,7)8;1-5(2,3)4/h1H2,(H,4,5)(H3,3,6,7,8);(H3,1,2,3,4)
InChIKeySOFWNBCPGLXLOF-UHFFFAOYSA-N
MW253.04 g/mol
LogP-2.18
Rot. Bonds3

About 2-(phosphonoamino)acetic acid;phosphoric acid

2-(phosphonoamino)acetic acid;phosphoric acid (PubChem CID 175394349) has the molecular formula C2H9NO9P2 and a molecular weight of 253.04 g/mol. Its IUPAC name is 2-(phosphonoamino)acetic acid;phosphoric acid.

Molecular Properties

Compound Name2-(phosphonoamino)acetic acid;phosphoric acid
PubChem CID175394349
Molecular FormulaC2H9NO9P2
Molecular Weight253.04 g/mol
Exact Mass252.98
IUPAC Name2-(phosphonoamino)acetic acid;phosphoric acid
SMILESO=C(O)CNP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/C2H6NO5P.H3O4P/c4-2(5)1-3-9(6,7)8;1-5(2,3)4/h1H2,(H,4,5)(H3,3,6,7,8);(H3,1,2,3,4)
InChIKeySOFWNBCPGLXLOF-UHFFFAOYSA-N
XLogP-2.18
TPSA184.62 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.04
LogP ≤ 5-2.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyacetic acid;phosphoric acid
CID 23322415
[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride
CID 88686897
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
2-oxobutanedioic acid;phosphoric acid
CID 174555285
hydrogen peroxide;phosphoric acid
CID 18509931
CID 131878072
CID 131878072
calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
2-(carboxymethylamino)acetic acid
CID 8897
3-(carboxymethylamino)-3,3-diphosphonopropanoic acid
CID 54364887
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
acetic acid;phosphoric acid;propanoic acid
CID 162090044

Frequently Asked Questions

What is the IUPAC name of 2-(phosphonoamino)acetic acid;phosphoric acid?
The IUPAC name of 2-(phosphonoamino)acetic acid;phosphoric acid (CID 175394349) is 2-(phosphonoamino)acetic acid;phosphoric acid.
What is the SMILES notation for 2-(phosphonoamino)acetic acid;phosphoric acid?
The canonical SMILES for 2-(phosphonoamino)acetic acid;phosphoric acid is O=C(O)CNP(=O)(O)O.O=P(O)(O)O.
What is the InChIKey of 2-(phosphonoamino)acetic acid;phosphoric acid?
The InChIKey is SOFWNBCPGLXLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO5P.H3O4P/c4-2(5)1-3-9(6,7)8;1-5(2,3)4/h1H2,(H,4,5)(H3,3,6,7,8);(H3,1,2,3,4).
What are the key properties of 2-(phosphonoamino)acetic acid;phosphoric acid?
2-(phosphonoamino)acetic acid;phosphoric acid has a molecular weight of 253.04 g/mol, XLogP of -2.18, 3 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphonoamino)acetic acid;phosphoric acid is sourced from PubChem (CID 175394349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).