2-(2,2-dihydroxyethenylamino)acetic acid

C4H7NO4 — CID 58720984

IUPAC2-(2,2-dihydroxyethenylamino)acetic acid
SMILESO=C(O)CNC=C(O)O
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h1,5-7H,2H2,(H,8,9)
InChIKeyMHHXOTLQMZSSRE-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.42
Rot. Bonds3

About 2-(2,2-dihydroxyethenylamino)acetic acid

2-(2,2-dihydroxyethenylamino)acetic acid (PubChem CID 58720984) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 2-(2,2-dihydroxyethenylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-dihydroxyethenylamino)acetic acid
PubChem CID58720984
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name2-(2,2-dihydroxyethenylamino)acetic acid
SMILESO=C(O)CNC=C(O)O
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h1,5-7H,2H2,(H,8,9)
InChIKeyMHHXOTLQMZSSRE-UHFFFAOYSA-N
XLogP-0.42
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-formamidoacetic acid
CID 170552381
2-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)amino]acetic acid
CID 151100628
2-formamidoacetic acid;hydrochloride
CID 174363412
2-(carboxymethylamino)acetic acid
CID 8897
2-[[(E)-2-methoxyethenyl]amino]acetic acid
CID 87073371
ethane;ethanol;2-formamidoacetic acid;propane
CID 143106898
2-[[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108837710
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-[[(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108844369
2-(2-acetyloxyethenylamino)acetic acid
CID 152617117
2-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]acetic acid
CID 108862214
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dihydroxyethenylamino)acetic acid?
The IUPAC name of 2-(2,2-dihydroxyethenylamino)acetic acid (CID 58720984) is 2-(2,2-dihydroxyethenylamino)acetic acid.
What is the SMILES notation for 2-(2,2-dihydroxyethenylamino)acetic acid?
The canonical SMILES for 2-(2,2-dihydroxyethenylamino)acetic acid is O=C(O)CNC=C(O)O.
What is the InChIKey of 2-(2,2-dihydroxyethenylamino)acetic acid?
The InChIKey is MHHXOTLQMZSSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h1,5-7H,2H2,(H,8,9).
What are the key properties of 2-(2,2-dihydroxyethenylamino)acetic acid?
2-(2,2-dihydroxyethenylamino)acetic acid has a molecular weight of 133.10 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxyethenylamino)acetic acid is sourced from PubChem (CID 58720984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).