tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate

C14H27NO4 — CID 122497575

IUPACtert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
SMILESC[C@@H](CC[C@@H]1CC[C@@H](O)CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(15-13(17)19-14(2,3)4)5-7-12-8-6-11(16)9-18-12/h10-12,16H,5-9H2,1-4H3,(H,15,17)/t10-,11+,12+/m0/s1
InChIKeyXNQBISYBJWFISE-QJPTWQEYSA-N
MW273.37 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate

tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate (PubChem CID 122497575) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
PubChem CID122497575
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
SMILESC[C@@H](CC[C@@H]1CC[C@@H](O)CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(15-13(17)19-14(2,3)4)5-7-12-8-6-11(16)9-18-12/h10-12,16H,5-9H2,1-4H3,(H,15,17)/t10-,11+,12+/m0/s1
InChIKeyXNQBISYBJWFISE-QJPTWQEYSA-N
XLogP2.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247104
tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
CID 107247044
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
CID 58242210
tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
CID 106508968
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate (CID 122497575) is tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate is C[C@@H](CC[C@@H]1CC[C@@H](O)CO1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate?
The InChIKey is XNQBISYBJWFISE-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-10(15-13(17)19-14(2,3)4)5-7-12-8-6-11(16)9-18-12/h10-12,16H,5-9H2,1-4H3,(H,15,17)/t10-,11+,12+/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate?
tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 2.22, 4 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-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate is sourced from PubChem (CID 122497575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).