N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide

C14H22F2N2O2 — CID 138030807

IUPACN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]1C1CCC1)N1CC(OCC(F)F)C1
InChIInChI=1S/C14H22F2N2O2/c15-13(16)8-20-11-6-18(7-11)14(19)17-5-10-4-12(10)9-2-1-3-9/h9-13H,1-8H2,(H,17,19)/t10-,12-/m0/s1
InChIKeyNQOVGMKZRPCJDE-JQWIXIFHSA-N
MW288.34 g/mol
LogP2.10
Rot. Bonds6

About N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide

N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide (PubChem CID 138030807) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide
PubChem CID138030807
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]1C1CCC1)N1CC(OCC(F)F)C1
InChIInChI=1S/C14H22F2N2O2/c15-13(16)8-20-11-6-18(7-11)14(19)17-5-10-4-12(10)9-2-1-3-9/h9-13H,1-8H2,(H,17,19)/t10-,12-/m0/s1
InChIKeyNQOVGMKZRPCJDE-JQWIXIFHSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
N-[[(1S,2R)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 164638984
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 128891590
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-2-methylpropanoic acid
CID 115560898
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228
3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
CID 170110889
2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81463935
3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide
CID 138010596
(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
CID 168737415
N-[(2-aminocyclopentyl)methyl]piperidine-1-carboxamide
CID 79155125

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide (CID 138030807) is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide is O=C(NC[C@@H]1C[C@H]1C1CCC1)N1CC(OCC(F)F)C1.
What is the InChIKey of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide?
The InChIKey is NQOVGMKZRPCJDE-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c15-13(16)8-20-11-6-18(7-11)14(19)17-5-10-4-12(10)9-2-1-3-9/h9-13H,1-8H2,(H,17,19)/t10-,12-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide?
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide has a molecular weight of 288.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-(2,2-difluoroethoxy)azetidine-1-carboxamide is sourced from PubChem (CID 138030807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).