[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate

C12H16F4N2O5 — CID 175537602

IUPAC[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate
SMILESNC(=O)OC(CC1CCNC1=O)C(=O)COC(C(F)F)C(F)F
InChIInChI=1S/C12H16F4N2O5/c13-9(14)8(10(15)16)22-4-6(19)7(23-12(17)21)3-5-1-2-18-11(5)20/h5,7-10H,1-4H2,(H2,17,21)(H,18,20)
InChIKeyZCCJQRRTTCKZMY-UHFFFAOYSA-N
MW344.26 g/mol
LogP0.46
Rot. Bonds9

About [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate

[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate (PubChem CID 175537602) has the molecular formula C12H16F4N2O5 and a molecular weight of 344.26 g/mol. Its IUPAC name is [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate.

Molecular Properties

Compound Name[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate
PubChem CID175537602
Molecular FormulaC12H16F4N2O5
Molecular Weight344.26 g/mol
Exact Mass344.10
IUPAC Name[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate
SMILESNC(=O)OC(CC1CCNC1=O)C(=O)COC(C(F)F)C(F)F
InChIInChI=1S/C12H16F4N2O5/c13-9(14)8(10(15)16)22-4-6(19)7(23-12(17)21)3-5-1-2-18-11(5)20/h5,7-10H,1-4H2,(H2,17,21)(H,18,20)
InChIKeyZCCJQRRTTCKZMY-UHFFFAOYSA-N
XLogP0.46
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537571
[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537570
[3-oxo-1-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537573
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl]carbamate
CID 166170476
[(2S)-4-[methyl(phenyl)phosphoryl]oxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] carbamate
CID 175537617
[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate
CID 175424255
[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
CID 175304766
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193
[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate
CID 175380256
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908

Frequently Asked Questions

What is the IUPAC name of [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate?
The IUPAC name of [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate (CID 175537602) is [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate.
What is the SMILES notation for [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate?
The canonical SMILES for [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate is NC(=O)OC(CC1CCNC1=O)C(=O)COC(C(F)F)C(F)F.
What is the InChIKey of [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate?
The InChIKey is ZCCJQRRTTCKZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O5/c13-9(14)8(10(15)16)22-4-6(19)7(23-12(17)21)3-5-1-2-18-11(5)20/h5,7-10H,1-4H2,(H2,17,21)(H,18,20).
What are the key properties of [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate?
[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate has a molecular weight of 344.26 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate is sourced from PubChem (CID 175537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).