tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate

C17H33NO4 — CID 58242210

IUPACtert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
SMILESC[C@@H](CC[C@@H]1CCCC[C@@H]1OCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO4/c1-13(18-16(20)22-17(2,3)4)9-10-14-7-5-6-8-15(14)21-12-11-19/h13-15,19H,5-12H2,1-4H3,(H,18,20)/t13-,14-,15-/m0/s1
InChIKeyFYYRVULJBOKDJH-KKUMJFAQSA-N
MW315.45 g/mol
LogP3.25
Rot. Bonds7

About tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate

tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate (PubChem CID 58242210) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
PubChem CID58242210
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nametert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
SMILESC[C@@H](CC[C@@H]1CCCC[C@@H]1OCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO4/c1-13(18-16(20)22-17(2,3)4)9-10-14-7-5-6-8-15(14)21-12-11-19/h13-15,19H,5-12H2,1-4H3,(H,18,20)/t13-,14-,15-/m0/s1
InChIKeyFYYRVULJBOKDJH-KKUMJFAQSA-N
XLogP3.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-4-[(1S,2S)-2-ethenoxycyclohexyl]butan-2-yl]carbamate;tert-butyl N-[(2R)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
CID 159726518
tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
CID 68758091
2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
CID 123999633
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
CID 122497575
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981096
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 166553850
tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate
CID 83983009
tert-butyl N-[1-[(2-propan-2-ylcyclohexyl)amino]propan-2-yl]carbamate
CID 107247960
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate (CID 58242210) is tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate is C[C@@H](CC[C@@H]1CCCC[C@@H]1OCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate?
The InChIKey is FYYRVULJBOKDJH-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H33NO4/c1-13(18-16(20)22-17(2,3)4)9-10-14-7-5-6-8-15(14)21-12-11-19/h13-15,19H,5-12H2,1-4H3,(H,18,20)/t13-,14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate?
tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate has a molecular weight of 315.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate is sourced from PubChem (CID 58242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).