cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate

C11H18N2O3 — CID 18451911

IUPACcyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate
SMILESO=C(NC1CCCCNC1=O)OCC1CC1
InChIInChI=1S/C11H18N2O3/c14-10-9(3-1-2-6-12-10)13-11(15)16-7-8-4-5-8/h8-9H,1-7H2,(H,12,14)(H,13,15)
InChIKeyHSIHALJXHNIRIH-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.79
Rot. Bonds3

About cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate

cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate (PubChem CID 18451911) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate
PubChem CID18451911
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namecyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate
SMILESO=C(NC1CCCCNC1=O)OCC1CC1
InChIInChI=1S/C11H18N2O3/c14-10-9(3-1-2-6-12-10)13-11(15)16-7-8-4-5-8/h8-9H,1-7H2,(H,12,14)(H,13,15)
InChIKeyHSIHALJXHNIRIH-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
(4-propylcyclohexyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 118933774
ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate?
The IUPAC name of cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate (CID 18451911) is cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate.
What is the SMILES notation for cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate?
The canonical SMILES for cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate is O=C(NC1CCCCNC1=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate?
The InChIKey is HSIHALJXHNIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10-9(3-1-2-6-12-10)13-11(15)16-7-8-4-5-8/h8-9H,1-7H2,(H,12,14)(H,13,15).
What are the key properties of cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate?
cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate is sourced from PubChem (CID 18451911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).