2-amino-4-ethyliminobut-2-enoic acid

C6H10N2O2 — CID 173228167

IUPAC2-amino-4-ethyliminobut-2-enoic acid
SMILESCC/N=C/C=C(N)C(=O)O
InChIInChI=1S/C6H10N2O2/c1-2-8-4-3-5(7)6(9)10/h3-4H,2,7H2,1H3,(H,9,10)/b5-3?,8-4+
InChIKeyGRBGDTXZUOIWOU-ZDUSDAAASA-N
MW142.16 g/mol
LogP0.00
Rot. Bonds3

About 2-amino-4-ethyliminobut-2-enoic acid

2-amino-4-ethyliminobut-2-enoic acid (PubChem CID 173228167) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-amino-4-ethyliminobut-2-enoic acid.

Molecular Properties

Compound Name2-amino-4-ethyliminobut-2-enoic acid
PubChem CID173228167
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-amino-4-ethyliminobut-2-enoic acid
SMILESCC/N=C/C=C(N)C(=O)O
InChIInChI=1S/C6H10N2O2/c1-2-8-4-3-5(7)6(9)10/h3-4H,2,7H2,1H3,(H,9,10)/b5-3?,8-4+
InChIKeyGRBGDTXZUOIWOU-ZDUSDAAASA-N
XLogP0.00
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.00
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

(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
CID 89374290
2-amino-5-chlorohexa-2,4-dienedioic acid
CID 25203528
(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid
CID 155472178
[(Z)-3-amino-3-carboxyprop-2-enylidene]azanium
CID 168910812
2-amino-2-ethyliminoacetic acid
CID 12538241
(Z)-2-amino-4-(diaminomethylidene)hex-2-enoic acid
CID 146638174
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
2-(ethyliminomethylimino)propanamide
CID 90245736
(E)-2-amino-4-oxopent-2-enoic acid
CID 45085327
carbonic acid;propane
CID 87396872
(Z)-2-amino-4-(diaminomethylideneamino)oxybut-2-enoic acid
CID 140677657
carbamic acid;hex-3-ene
CID 175321124

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyliminobut-2-enoic acid?
The IUPAC name of 2-amino-4-ethyliminobut-2-enoic acid (CID 173228167) is 2-amino-4-ethyliminobut-2-enoic acid.
What is the SMILES notation for 2-amino-4-ethyliminobut-2-enoic acid?
The canonical SMILES for 2-amino-4-ethyliminobut-2-enoic acid is CC/N=C/C=C(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyliminobut-2-enoic acid?
The InChIKey is GRBGDTXZUOIWOU-ZDUSDAAASA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-8-4-3-5(7)6(9)10/h3-4H,2,7H2,1H3,(H,9,10)/b5-3?,8-4+.
What are the key properties of 2-amino-4-ethyliminobut-2-enoic acid?
2-amino-4-ethyliminobut-2-enoic acid has a molecular weight of 142.16 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyliminobut-2-enoic acid is sourced from PubChem (CID 173228167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).