[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate

C8H15FN2O2 — CID 175486162

IUPAC[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CCN(CCCF)C1
InChIInChI=1S/C8H15FN2O2/c9-3-1-4-11-5-2-7(6-11)13-8(10)12/h7H,1-6H2,(H2,10,12)/t7-/m0/s1
InChIKeyJHECNDUUADMGNC-ZETCQYMHSA-N
MW190.22 g/mol
LogP0.52
Rot. Bonds4

About [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate

[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate (PubChem CID 175486162) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate
PubChem CID175486162
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CCN(CCCF)C1
InChIInChI=1S/C8H15FN2O2/c9-3-1-4-11-5-2-7(6-11)13-8(10)12/h7H,1-6H2,(H2,10,12)/t7-/m0/s1
InChIKeyJHECNDUUADMGNC-ZETCQYMHSA-N
XLogP0.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
CID 134520891
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
CID 134521035
(3S)-3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 154703687
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
tert-butyl-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]carbamic acid
CID 170313052
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate?
The IUPAC name of [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate (CID 175486162) is [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate?
The canonical SMILES for [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate is NC(=O)O[C@H]1CCN(CCCF)C1.
What is the InChIKey of [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate?
The InChIKey is JHECNDUUADMGNC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15FN2O2/c9-3-1-4-11-5-2-7(6-11)13-8(10)12/h7H,1-6H2,(H2,10,12)/t7-/m0/s1.
What are the key properties of [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate?
[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate has a molecular weight of 190.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175486162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).