cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid

C8H12FNO3 — CID 87613911

IUPACcyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid
SMILESO=C(F)CN(C(=O)O)C1CCCC1
InChIInChI=1S/C8H12FNO3/c9-7(11)5-10(8(12)13)6-3-1-2-4-6/h6H,1-5H2,(H,12,13)
InChIKeyHUPSBNZUARAMDE-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.41
Rot. Bonds3

About cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid

cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid (PubChem CID 87613911) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid.

Molecular Properties

Compound Namecyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid
PubChem CID87613911
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Namecyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid
SMILESO=C(F)CN(C(=O)O)C1CCCC1
InChIInChI=1S/C8H12FNO3/c9-7(11)5-10(8(12)13)6-3-1-2-4-6/h6H,1-5H2,(H,12,13)
InChIKeyHUPSBNZUARAMDE-UHFFFAOYSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid
CID 90848636
2-[Cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826431
2-(N-cyclopentyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000446
2-[Cyclopentyl(2-fluoroethyl)amino]acetic acid
CID 80693666
2-[Cyclopentyl(3-fluoropropyl)amino]acetic acid
CID 81113048
2-[Cyclopentyl-(2,2-difluoroacetyl)amino]acetic acid
CID 103513180
2-[[(1R,2R)-2-fluorocyclopentyl]-methylamino]acetic acid
CID 168021360
N-acetyl-(D,L)-cyclopentylglycine
CID 22716036
2-[Cyclopentyl(formyl)amino]acetic acid
CID 61146472

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid?
The IUPAC name of cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid (CID 87613911) is cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid.
What is the SMILES notation for cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid?
The canonical SMILES for cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid is O=C(F)CN(C(=O)O)C1CCCC1.
What is the InChIKey of cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid?
The InChIKey is HUPSBNZUARAMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-7(11)5-10(8(12)13)6-3-1-2-4-6/h6H,1-5H2,(H,12,13).
What are the key properties of cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid?
cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid has a molecular weight of 189.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid is sourced from PubChem (CID 87613911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).