4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid

C6H8FNO2 — CID 73242045

IUPAC4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid
SMILESNC1CC(C(=O)O)C=C1F
InChIInChI=1S/C6H8FNO2/c7-4-1-3(6(9)10)2-5(4)8/h1,3,5H,2,8H2,(H,9,10)
InChIKeyHYFGNSPBWCIGEO-UHFFFAOYSA-N
MW145.13 g/mol
LogP0.27
Rot. Bonds1

About 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid

4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid (PubChem CID 73242045) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid
PubChem CID73242045
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid
SMILESNC1CC(C(=O)O)C=C1F
InChIInChI=1S/C6H8FNO2/c7-4-1-3(6(9)10)2-5(4)8/h1,3,5H,2,8H2,(H,9,10)
InChIKeyHYFGNSPBWCIGEO-UHFFFAOYSA-N
XLogP0.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
CID 46936953
4-amino-2-methylcyclopent-2-ene-1-carboxylic acid
CID 153401891
cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
CID 140807928
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209881
cyclopentene-1,3-dicarboxylic acid
CID 10866576
(3R,6S,7aR)-6-amino-5-oxo-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 99943676
(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 22885763
cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride
CID 140807927
2-[(1R,3S,4R)-4-amino-3-(4-fluorophenyl)cyclohexyl]acetic acid
CID 123536470
4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 114958954
4-[(3-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209105
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid (CID 73242045) is 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid is NC1CC(C(=O)O)C=C1F.
What is the InChIKey of 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid?
The InChIKey is HYFGNSPBWCIGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2/c7-4-1-3(6(9)10)2-5(4)8/h1,3,5H,2,8H2,(H,9,10).
What are the key properties of 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid?
4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid has a molecular weight of 145.13 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 73242045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).