benzyl N-[(3R)-3-methylazepan-3-yl]carbamate

C15H22N2O2 — CID 175203765

IUPACbenzyl N-[(3R)-3-methylazepan-3-yl]carbamate
SMILESC[C@@]1(NC(=O)OCc2ccccc2)CCCCNC1
InChIInChI=1S/C15H22N2O2/c1-15(9-5-6-10-16-12-15)17-14(18)19-11-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyGCIGZFXXIFRNEB-OAHLLOKOSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds3

About benzyl N-[(3R)-3-methylazepan-3-yl]carbamate

benzyl N-[(3R)-3-methylazepan-3-yl]carbamate (PubChem CID 175203765) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-[(3R)-3-methylazepan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-methylazepan-3-yl]carbamate
PubChem CID175203765
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-[(3R)-3-methylazepan-3-yl]carbamate
SMILESC[C@@]1(NC(=O)OCc2ccccc2)CCCCNC1
InChIInChI=1S/C15H22N2O2/c1-15(9-5-6-10-16-12-15)17-14(18)19-11-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyGCIGZFXXIFRNEB-OAHLLOKOSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-methylazepan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-methylazepan-3-yl]carbamate (CID 175203765) is benzyl N-[(3R)-3-methylazepan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-methylazepan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-methylazepan-3-yl]carbamate is C[C@@]1(NC(=O)OCc2ccccc2)CCCCNC1.
What is the InChIKey of benzyl N-[(3R)-3-methylazepan-3-yl]carbamate?
The InChIKey is GCIGZFXXIFRNEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(9-5-6-10-16-12-15)17-14(18)19-11-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-methylazepan-3-yl]carbamate?
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-methylazepan-3-yl]carbamate is sourced from PubChem (CID 175203765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).