(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

C14H24N2O3 — CID 118933774

IUPAC(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCCCC1CCC(COC(=O)N[C@H]2CNC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-3-10-4-6-11(7-5-10)9-19-14(18)16-12-8-15-13(12)17/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18)/t10?,11?,12-/m0/s1
InChIKeyJEDNDFGNLJBLQW-MCIGGMRASA-N
MW268.36 g/mol
LogP1.82
Rot. Bonds5

About (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 118933774) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID118933774
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCCCC1CCC(COC(=O)N[C@H]2CNC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-3-10-4-6-11(7-5-10)9-19-14(18)16-12-8-15-13(12)17/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18)/t10?,11?,12-/m0/s1
InChIKeyJEDNDFGNLJBLQW-MCIGGMRASA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 118933774) is (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is CCCC1CCC(COC(=O)N[C@H]2CNC2=O)CC1.
What is the InChIKey of (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is JEDNDFGNLJBLQW-MCIGGMRASA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-10-4-6-11(7-5-10)9-19-14(18)16-12-8-15-13(12)17/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18)/t10?,11?,12-/m0/s1.
What are the key properties of (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 118933774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).