tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate

C14H26N2O3 — CID 23657246

IUPACtert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
SMILESCC(C)C1CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1
InChIInChI=1S/C14H26N2O3/c1-9(2)10-6-7-11(12(17)15-8-10)16-13(18)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,18)/t10?,11-/m1/s1
InChIKeyWQRZKNHMGLVJEK-RRKGBCIJSA-N
MW270.37 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate

tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate (PubChem CID 23657246) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
PubChem CID23657246
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
SMILESCC(C)C1CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1
InChIInChI=1S/C14H26N2O3/c1-9(2)10-6-7-11(12(17)15-8-10)16-13(18)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,18)/t10?,11-/m1/s1
InChIKeyWQRZKNHMGLVJEK-RRKGBCIJSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxoazepan-3-yl]carbamate
CID 11728063
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
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tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
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tert-butyl N-[(3R)-6-benzyl-2-oxoazepan-3-yl]carbamate
CID 23657247
tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
CID 123848326
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
CID 84669461
tert-butyl N-[(2S,3S)-2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamate
CID 121280859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate (CID 23657246) is tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate is CC(C)C1CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1.
What is the InChIKey of tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate?
The InChIKey is WQRZKNHMGLVJEK-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)10-6-7-11(12(17)15-8-10)16-13(18)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,18)/t10?,11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate?
tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate is sourced from PubChem (CID 23657246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).