3-(carbamoylamino)-2-fluoroprop-2-enoic acid

C4H5FN2O3 — CID 54163239

IUPAC3-(carbamoylamino)-2-fluoroprop-2-enoic acid
SMILESNC(=O)NC=C(F)C(=O)O
InChIInChI=1S/C4H5FN2O3/c5-2(3(8)9)1-7-4(6)10/h1H,(H,8,9)(H3,6,7,10)
InChIKeyOPWMPTHPMVSPJW-UHFFFAOYSA-N
MW148.09 g/mol
LogP-0.45
Rot. Bonds2

About 3-(carbamoylamino)-2-fluoroprop-2-enoic acid

3-(carbamoylamino)-2-fluoroprop-2-enoic acid (PubChem CID 54163239) has the molecular formula C4H5FN2O3 and a molecular weight of 148.09 g/mol. Its IUPAC name is 3-(carbamoylamino)-2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)-2-fluoroprop-2-enoic acid
PubChem CID54163239
Molecular FormulaC4H5FN2O3
Molecular Weight148.09 g/mol
Exact Mass148.03
IUPAC Name3-(carbamoylamino)-2-fluoroprop-2-enoic acid
SMILESNC(=O)NC=C(F)C(=O)O
InChIInChI=1S/C4H5FN2O3/c5-2(3(8)9)1-7-4(6)10/h1H,(H,8,9)(H3,6,7,10)
InChIKeyOPWMPTHPMVSPJW-UHFFFAOYSA-N
XLogP-0.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(carbamoylamino)-2-methylprop-2-enamide
CID 87367732
(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
CID 87646358
3-cyano-2-fluoroprop-2-enoic acid
CID 154428442
N-carbamoylformamide;hydrate
CID 174813959
N-(carbamoylcarbamoyl)carbamoyl fluoride
CID 22166147
[(E)-2-methylsulfanylbut-1-en-3-ynyl]urea
CID 90054107
(Z)-4-bromo-2-fluorobut-2-enoic acid
CID 19866003
(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid
CID 146299600
2-fluoropent-2-enedioic acid
CID 90022975
(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
CID 19373367
ethyl (Z)-3-(carbamoylamino)-2-chloroprop-2-enoate
CID 165354319
carbamoyl fluoride;hydrochloride
CID 175206669

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-2-fluoroprop-2-enoic acid?
The IUPAC name of 3-(carbamoylamino)-2-fluoroprop-2-enoic acid (CID 54163239) is 3-(carbamoylamino)-2-fluoroprop-2-enoic acid.
What is the SMILES notation for 3-(carbamoylamino)-2-fluoroprop-2-enoic acid?
The canonical SMILES for 3-(carbamoylamino)-2-fluoroprop-2-enoic acid is NC(=O)NC=C(F)C(=O)O.
What is the InChIKey of 3-(carbamoylamino)-2-fluoroprop-2-enoic acid?
The InChIKey is OPWMPTHPMVSPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O3/c5-2(3(8)9)1-7-4(6)10/h1H,(H,8,9)(H3,6,7,10).
What are the key properties of 3-(carbamoylamino)-2-fluoroprop-2-enoic acid?
3-(carbamoylamino)-2-fluoroprop-2-enoic acid has a molecular weight of 148.09 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-2-fluoroprop-2-enoic acid is sourced from PubChem (CID 54163239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).