2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid

C17H31NO2 — CID 79695676

IUPAC2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid
SMILESCCCC1(CCC)CN(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-3-10-17(11-4-2)12-18(13-17)15(16(19)20)14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,19,20)
InChIKeyNSFFPDMPQZSXOX-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.92
Rot. Bonds7

About 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid

2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid (PubChem CID 79695676) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid
PubChem CID79695676
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid
SMILESCCCC1(CCC)CN(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-3-10-17(11-4-2)12-18(13-17)15(16(19)20)14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,19,20)
InChIKeyNSFFPDMPQZSXOX-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(3-ethylazetidin-1-yl)acetic acid
CID 79694528
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044
2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
4-(3,3-dipropylazetidin-1-yl)pentanoic acid
CID 79695411
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
CID 79695487
(2R)-2-cyclohexyl-2-(3-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 142021732
(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid
CID 147592244

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid (CID 79695676) is 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid is CCCC1(CCC)CN(C(C(=O)O)C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid?
The InChIKey is NSFFPDMPQZSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-10-17(11-4-2)12-18(13-17)15(16(19)20)14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid?
2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid has a molecular weight of 281.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid is sourced from PubChem (CID 79695676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).