2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid

C15H26N2O4 — CID 102659390

IUPAC2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCC(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(21-9-14(19)20)10-17(11-15)8-7-13(18)16-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyHUIOWGMYLCOSCS-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.00
Rot. Bonds7

About 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659390) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659390
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCC(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(21-9-14(19)20)10-17(11-15)8-7-13(18)16-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyHUIOWGMYLCOSCS-UHFFFAOYSA-N
XLogP1.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopentylpropanamide
CID 120775513
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
N-cyclopentyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
CID 72872519
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659390) is 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCC(=O)NC2CCCCC2)C1.
What is the InChIKey of 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is HUIOWGMYLCOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(21-9-14(19)20)10-17(11-15)8-7-13(18)16-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).