2-(phosphonomethylamino)acetic acid;hydrochloride

C3H9ClNO5P — CID 23182961

IUPAC2-(phosphonomethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.ClH/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H
InChIKeyPFYLUPCYXUAVBN-UHFFFAOYSA-N
MW205.53 g/mol
LogP-0.78
Rot. Bonds4

About 2-(phosphonomethylamino)acetic acid;hydrochloride

2-(phosphonomethylamino)acetic acid;hydrochloride (PubChem CID 23182961) has the molecular formula C3H9ClNO5P and a molecular weight of 205.53 g/mol. Its IUPAC name is 2-(phosphonomethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(phosphonomethylamino)acetic acid;hydrochloride
PubChem CID23182961
Molecular FormulaC3H9ClNO5P
Molecular Weight205.53 g/mol
Exact Mass204.99
IUPAC Name2-(phosphonomethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.ClH/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H
InChIKeyPFYLUPCYXUAVBN-UHFFFAOYSA-N
XLogP-0.78
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.53
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
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-(phosphonomethylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(phosphonomethylamino)acetic acid;hydrochloride (CID 23182961) is 2-(phosphonomethylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(phosphonomethylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(phosphonomethylamino)acetic acid;hydrochloride is Cl.O=C(O)CNCP(=O)(O)O.
What is the InChIKey of 2-(phosphonomethylamino)acetic acid;hydrochloride?
The InChIKey is PFYLUPCYXUAVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.ClH/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H.
What are the key properties of 2-(phosphonomethylamino)acetic acid;hydrochloride?
2-(phosphonomethylamino)acetic acid;hydrochloride has a molecular weight of 205.53 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphonomethylamino)acetic acid;hydrochloride is sourced from PubChem (CID 23182961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).