ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate

C9H16N2O3 — CID 10821898

IUPACethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)11-7-5-3-4-6-10-8(7)12/h7H,2-6H2,1H3,(H,10,12)(H,11,13)/t7-/m1/s1
InChIKeyHSORKWOJADZUDS-SSDOTTSWSA-N
MW200.24 g/mol
LogP0.40
Rot. Bonds2

About ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate

ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate (PubChem CID 10821898) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
PubChem CID10821898
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)11-7-5-3-4-6-10-8(7)12/h7H,2-6H2,1H3,(H,10,12)(H,11,13)/t7-/m1/s1
InChIKeyHSORKWOJADZUDS-SSDOTTSWSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152
cyclopropylmethyl N-(2-oxoazepan-3-yl)carbamate
CID 18451911
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
ethyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 10856185
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
ethyl (E)-2-cyano-3-[[(3S)-2-oxoazepan-3-yl]amino]prop-2-enoate
CID 28924106
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate (CID 10821898) is ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate?
The InChIKey is HSORKWOJADZUDS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(13)11-7-5-3-4-6-10-8(7)12/h7H,2-6H2,1H3,(H,10,12)(H,11,13)/t7-/m1/s1.
What are the key properties of ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate?
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate is sourced from PubChem (CID 10821898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).