2-[2-(methylideneamino)prop-2-enoylamino]acetic acid

C6H8N2O3 — CID 123745862

IUPAC2-[2-(methylideneamino)prop-2-enoylamino]acetic acid
SMILESC=NC(=C)C(=O)NCC(=O)O
InChIInChI=1S/C6H8N2O3/c1-4(7-2)6(11)8-3-5(9)10/h1-3H2,(H,8,11)(H,9,10)
InChIKeyFCLYDIPNZXGXEG-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.60
Rot. Bonds4

About 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid

2-[2-(methylideneamino)prop-2-enoylamino]acetic acid (PubChem CID 123745862) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(methylideneamino)prop-2-enoylamino]acetic acid
PubChem CID123745862
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-[2-(methylideneamino)prop-2-enoylamino]acetic acid
SMILESC=NC(=C)C(=O)NCC(=O)O
InChIInChI=1S/C6H8N2O3/c1-4(7-2)6(11)8-3-5(9)10/h1-3H2,(H,8,11)(H,9,10)
InChIKeyFCLYDIPNZXGXEG-UHFFFAOYSA-N
XLogP-0.60
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]prop-2-enoic acid
CID 306112
2-(2-Acetamidoprop-2-enoylamino)acetic acid
CID 11229201
Dehydroalanyl-glycine
CID 129821850
2-[(2-Acetamidoacetyl)amino]prop-2-enoic acid
CID 88738626
2-[3-[(2-Aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid
CID 90385984
Methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate
CID 123443598
2-[2-(Prop-2-enoylamino)prop-2-enoylamino]acetic acid
CID 149999257
2-[(3-Amino-3-oxoprop-1-en-2-yl)amino]acetic acid
CID 163288284
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 55245938
2-[2-[(2-Aminoacetyl)amino]prop-2-enoylamino]acetic acid
CID 85984010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid?
The IUPAC name of 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid (CID 123745862) is 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid.
What is the SMILES notation for 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid?
The canonical SMILES for 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid is C=NC(=C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid?
The InChIKey is FCLYDIPNZXGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4(7-2)6(11)8-3-5(9)10/h1-3H2,(H,8,11)(H,9,10).
What are the key properties of 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid?
2-[2-(methylideneamino)prop-2-enoylamino]acetic acid has a molecular weight of 156.14 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylideneamino)prop-2-enoylamino]acetic acid is sourced from PubChem (CID 123745862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).