[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium

C4H7N2O2+ — CID 168910812

IUPAC[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium
SMILESN/C(=C\C=[NH2+])C(=O)O
InChIInChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h1-2,5H,6H2,(H,7,8)/p+1/b3-1-,5-2?
InChIKeyCEWXRHWYLHYKJL-OBPSVDJVSA-O
MW115.11 g/mol
LogP-2.26
Rot. Bonds2

About [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium

[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium (PubChem CID 168910812) has the molecular formula C4H7N2O2+ and a molecular weight of 115.11 g/mol. Its IUPAC name is [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium
PubChem CID168910812
Molecular FormulaC4H7N2O2+
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium
SMILESN/C(=C\C=[NH2+])C(=O)O
InChIInChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h1-2,5H,6H2,(H,7,8)/p+1/b3-1-,5-2?
InChIKeyCEWXRHWYLHYKJL-OBPSVDJVSA-O
XLogP-2.26
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-amino-5-chlorohexa-2,4-dienedioic acid
CID 25203528
(Z)-2-amino-4,4,4-trichlorobut-2-enoic acid
CID 88673838
carbonic acid;oxamic acid
CID 87882042
2-amino-4-ethyliminobut-2-enoic acid
CID 173228167
(E)-2-amino-4-oxopent-2-enoic acid
CID 45085327
carbonic acid;europium;gadolinium
CID 174896810
europium;oxalic acid
CID 90472147
carbamoyl chloride;carbonochloridic acid
CID 88841427
(E)-3,4-diamino-4-oxobut-2-enoic acid
CID 59912426
2-amino-3-methylbut-2-enoic acid
CID 15383277
(Z)-2-amino-4-(diaminomethylidene)hex-2-enoic acid
CID 146638174
2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 154028323

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium?
The IUPAC name of [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium (CID 168910812) is [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium?
The canonical SMILES for [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium is N/C(=C\C=[NH2+])C(=O)O.
What is the InChIKey of [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium?
The InChIKey is CEWXRHWYLHYKJL-OBPSVDJVSA-O. The full InChI is InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h1-2,5H,6H2,(H,7,8)/p+1/b3-1-,5-2?.
What are the key properties of [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium?
[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium has a molecular weight of 115.11 g/mol, XLogP of -2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-3-carboxyprop-2-enylidene]azanium is sourced from PubChem (CID 168910812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).