[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C17H20FNO5 — CID 8574581

IUPAC[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H20FNO5/c1-11(14(20)19-16(22)23-2)24-15(21)17(9-3-4-10-17)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,22)/t11-/m0/s1
InChIKeySTTUIXZKIIKACR-NSHDSACASA-N
MW337.35 g/mol
LogP2.45
Rot. Bonds4

About [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8574581) has the molecular formula C17H20FNO5 and a molecular weight of 337.35 g/mol. Its IUPAC name is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8574581
Molecular FormulaC17H20FNO5
Molecular Weight337.35 g/mol
Exact Mass337.13
IUPAC Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H20FNO5/c1-11(14(20)19-16(22)23-2)24-15(21)17(9-3-4-10-17)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,22)/t11-/m0/s1
InChIKeySTTUIXZKIIKACR-NSHDSACASA-N
XLogP2.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866380
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574804
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574634
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574749
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2358022
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 40651443
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574995
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclohexyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopentyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopropyl]-2-methylpropan-1-one
CID 167684249
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790788
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8603212

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 8574581) is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is COC(=O)NC(=O)[C@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is STTUIXZKIIKACR-NSHDSACASA-N. The full InChI is InChI=1S/C17H20FNO5/c1-11(14(20)19-16(22)23-2)24-15(21)17(9-3-4-10-17)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,22)/t11-/m0/s1.
What are the key properties of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8574581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).