(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid

C4H6FN3O3 — CID 6070737

IUPAC(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid
SMILESNC(=O)N/N=C(/CF)C(=O)O
InChIInChI=1S/C4H6FN3O3/c5-1-2(3(9)10)7-8-4(6)11/h1H2,(H,9,10)(H3,6,8,11)/b7-2-
InChIKeyOZFWGLKSYBUKQQ-UQCOIBPSSA-N
MW163.11 g/mol
LogP-0.94
Rot. Bonds3

About (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid

(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid (PubChem CID 6070737) has the molecular formula C4H6FN3O3 and a molecular weight of 163.11 g/mol. Its IUPAC name is (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid.

Molecular Properties

Compound Name(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid
PubChem CID6070737
Molecular FormulaC4H6FN3O3
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Name(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid
SMILESNC(=O)N/N=C(/CF)C(=O)O
InChIInChI=1S/C4H6FN3O3/c5-1-2(3(9)10)7-8-4(6)11/h1H2,(H,9,10)(H3,6,8,11)/b7-2-
InChIKeyOZFWGLKSYBUKQQ-UQCOIBPSSA-N
XLogP-0.94
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(carbamoylhydrazinylidene)propanoic acid
CID 175439457
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
diethyl 2-(carbamoylhydrazinylidene)butanedioate
CID 131879435
(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
CID 119098074
(1-aminoethylideneamino)urea
CID 85436939
1-[(E)-(1-fluoro-3-oxobutan-2-ylidene)amino]-3-methylurea
CID 155363409
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
(2E)-2-(carbamothioylhydrazinylidene)-3-(4-fluorophenyl)propanoic acid
CID 117045332
(diaminomethylideneamino)carbamic acid;hydrate
CID 139065812
[(E)-1-chlorobutan-2-ylideneamino]urea
CID 55303693

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid?
The IUPAC name of (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid (CID 6070737) is (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid.
What is the SMILES notation for (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid?
The canonical SMILES for (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid is NC(=O)N/N=C(/CF)C(=O)O.
What is the InChIKey of (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid?
The InChIKey is OZFWGLKSYBUKQQ-UQCOIBPSSA-N. The full InChI is InChI=1S/C4H6FN3O3/c5-1-2(3(9)10)7-8-4(6)11/h1H2,(H,9,10)(H3,6,8,11)/b7-2-.
What are the key properties of (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid?
(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid has a molecular weight of 163.11 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid is sourced from PubChem (CID 6070737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).