[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate

C12H20FNO4 — CID 126664177

IUPAC[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](F)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20FNO4/c1-7(15)17-10-6-8(13)5-9(10)14-11(16)18-12(2,3)4/h8-10H,5-6H2,1-4H3,(H,14,16)/t8-,9?,10-/m0/s1
InChIKeyMVHLSTIRVKLGMB-SMILAEQMSA-N
MW261.29 g/mol
LogP1.94
Rot. Bonds2

About [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate

[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate (PubChem CID 126664177) has the molecular formula C12H20FNO4 and a molecular weight of 261.29 g/mol. Its IUPAC name is [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
PubChem CID126664177
Molecular FormulaC12H20FNO4
Molecular Weight261.29 g/mol
Exact Mass261.14
IUPAC Name[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](F)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20FNO4/c1-7(15)17-10-6-8(13)5-9(10)14-11(16)18-12(2,3)4/h8-10H,5-6H2,1-4H3,(H,14,16)/t8-,9?,10-/m0/s1
InChIKeyMVHLSTIRVKLGMB-SMILAEQMSA-N
XLogP1.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3S,4S)-3-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 146636334
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
CID 11065075
2-[(1R,2R,4R,5R)-4-acetyloxy-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 123294842
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
CID 126664181
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(2S,5R)-5-fluoro-2-(hydroxymethyl)cyclohexyl]carbamate
CID 170214563
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
tert-butyl N-(2-propoxycyclopropyl)carbamate
CID 174856603
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate
CID 126652040

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
The IUPAC name of [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate (CID 126664177) is [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate.
What is the SMILES notation for [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
The canonical SMILES for [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate is CC(=O)O[C@H]1C[C@@H](F)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
The InChIKey is MVHLSTIRVKLGMB-SMILAEQMSA-N. The full InChI is InChI=1S/C12H20FNO4/c1-7(15)17-10-6-8(13)5-9(10)14-11(16)18-12(2,3)4/h8-10H,5-6H2,1-4H3,(H,14,16)/t8-,9?,10-/m0/s1.
What are the key properties of [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate has a molecular weight of 261.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate is sourced from PubChem (CID 126664177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).