tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate

C12H24N2O3 — CID 155190179

IUPACtert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate
SMILESC[C@H]1CC(O)C[C@H](NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C12H24N2O3/c1-8-5-10(15)6-9(7-13-8)14-11(16)17-12(2,3)4/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)/t8-,9-,10?/m0/s1
InChIKeyAIJOQCCWFPXFRH-XMCUXHSSSA-N
MW244.33 g/mol
LogP1.01
Rot. Bonds1

About tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate

tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate (PubChem CID 155190179) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate
PubChem CID155190179
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate
SMILESC[C@H]1CC(O)C[C@H](NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C12H24N2O3/c1-8-5-10(15)6-9(7-13-8)14-11(16)17-12(2,3)4/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)/t8-,9-,10?/m0/s1
InChIKeyAIJOQCCWFPXFRH-XMCUXHSSSA-N
XLogP1.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
4-[[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pyrrolidine-2-carboxylic acid
CID 139425859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate (CID 155190179) is tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate is C[C@H]1CC(O)C[C@H](NC(=O)OC(C)(C)C)CN1.
What is the InChIKey of tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate?
The InChIKey is AIJOQCCWFPXFRH-XMCUXHSSSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8-5-10(15)6-9(7-13-8)14-11(16)17-12(2,3)4/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)/t8-,9-,10?/m0/s1.
What are the key properties of tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate?
tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate is sourced from PubChem (CID 155190179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).