2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C14H22FNO4 — CID 88980683

IUPAC2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESC=C(F)C1(C(NC(=O)OC(C)(C)C)C(=O)O)CCCC1
InChIInChI=1S/C14H22FNO4/c1-9(15)14(7-5-6-8-14)10(11(17)18)16-12(19)20-13(2,3)4/h10H,1,5-8H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyOXYHDEAPBFFFGS-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.01
Rot. Bonds4

About 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 88980683) has the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID88980683
Molecular FormulaC14H22FNO4
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESC=C(F)C1(C(NC(=O)OC(C)(C)C)C(=O)O)CCCC1
InChIInChI=1S/C14H22FNO4/c1-9(15)14(7-5-6-8-14)10(11(17)18)16-12(19)20-13(2,3)4/h10H,1,5-8H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyOXYHDEAPBFFFGS-UHFFFAOYSA-N
XLogP3.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[carboxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
CID 19986920
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
3-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163651503
2-(4-ethyloxan-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11231522
(2R)-2-(1-bicyclo[2.2.1]heptanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 124585575
(2S)-2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11738405
2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 154723642
2-(3,5-dimethyl-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 23596412
2-(2-hydroxy-2-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 22250556
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 88980683) is 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is C=C(F)C1(C(NC(=O)OC(C)(C)C)C(=O)O)CCCC1.
What is the InChIKey of 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is OXYHDEAPBFFFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4/c1-9(15)14(7-5-6-8-14)10(11(17)18)16-12(19)20-13(2,3)4/h10H,1,5-8H2,2-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 287.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-fluoroethenyl)cyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 88980683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).