2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid

C7H10N2O4 — CID 6441434

IUPAC2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid
SMILESO=C(O)C/N=C/C=C/NCC(=O)O
InChIInChI=1S/C7H10N2O4/c10-6(11)4-8-2-1-3-9-5-7(12)13/h1-3,8H,4-5H2,(H,10,11)(H,12,13)/b2-1+,9-3+
InChIKeyOMOYYCNTSLVTOE-RJTULKDBSA-N
MW186.17 g/mol
LogP-0.67
Rot. Bonds6

About 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid

2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid (PubChem CID 6441434) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid
PubChem CID6441434
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid
SMILESO=C(O)C/N=C/C=C/NCC(=O)O
InChIInChI=1S/C7H10N2O4/c10-6(11)4-8-2-1-3-9-5-7(12)13/h1-3,8H,4-5H2,(H,10,11)(H,12,13)/b2-1+,9-3+
InChIKeyOMOYYCNTSLVTOE-RJTULKDBSA-N
XLogP-0.67
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid (CID 6441434) is 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid is O=C(O)C/N=C/C=C/NCC(=O)O.
What is the InChIKey of 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid?
The InChIKey is OMOYYCNTSLVTOE-RJTULKDBSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-6(11)4-8-2-1-3-9-5-7(12)13/h1-3,8H,4-5H2,(H,10,11)(H,12,13)/b2-1+,9-3+.
What are the key properties of 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid?
2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid has a molecular weight of 186.17 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid is sourced from PubChem (CID 6441434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).