2-(2-phosphonoethylamino)acetic acid

C4H10NO5P — CID 19801600

IUPAC2-(2-phosphonoethylamino)acetic acid
SMILESO=C(O)CNCCP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c6-4(7)3-5-1-2-11(8,9)10/h5H,1-3H2,(H,6,7)(H2,8,9,10)
InChIKeyXNXADQRVRLZXAD-UHFFFAOYSA-N
MW183.10 g/mol
LogP-1.16
Rot. Bonds5

About 2-(2-phosphonoethylamino)acetic acid

2-(2-phosphonoethylamino)acetic acid (PubChem CID 19801600) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is 2-(2-phosphonoethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-phosphonoethylamino)acetic acid
PubChem CID19801600
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2-(2-phosphonoethylamino)acetic acid
SMILESO=C(O)CNCCP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c6-4(7)3-5-1-2-11(8,9)10/h5H,1-3H2,(H,6,7)(H2,8,9,10)
InChIKeyXNXADQRVRLZXAD-UHFFFAOYSA-N
XLogP-1.16
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyphosate
CID 3496
Glyphosate-monoammonium
CID 11615303
glyphosate dimethylamine salt
CID 13208144
Glyphosate potassium
CID 23716553
Glyphosate-diammonium
CID 44146828
2-Methylamino-3-phosphonopropionic acid
CID 10103830
glyphosate N-(phosphonomethyl) glycine
CID 22495251
Glyphosate(2-)
CID 25203640
2-(4-Phosphonobutylamino)acetic acid
CID 19801585
N-(3-Phosphonopropyl)glycine
CID 19801605
N-(Phosphonomethyl)glycine--hydrogen chloride (1/1)
CID 23182961
CID 59310676
CID 59310676

Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphonoethylamino)acetic acid?
The IUPAC name of 2-(2-phosphonoethylamino)acetic acid (CID 19801600) is 2-(2-phosphonoethylamino)acetic acid.
What is the SMILES notation for 2-(2-phosphonoethylamino)acetic acid?
The canonical SMILES for 2-(2-phosphonoethylamino)acetic acid is O=C(O)CNCCP(=O)(O)O.
What is the InChIKey of 2-(2-phosphonoethylamino)acetic acid?
The InChIKey is XNXADQRVRLZXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c6-4(7)3-5-1-2-11(8,9)10/h5H,1-3H2,(H,6,7)(H2,8,9,10).
What are the key properties of 2-(2-phosphonoethylamino)acetic acid?
2-(2-phosphonoethylamino)acetic acid has a molecular weight of 183.10 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphonoethylamino)acetic acid is sourced from PubChem (CID 19801600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).