tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate

C14H27NO4 — CID 106508968

IUPACtert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CO)CCC1CCCO1
InChIInChI=1S/C14H27NO4/c1-14(2,3)19-13(17)15-9-11(10-16)6-7-12-5-4-8-18-12/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyWOAARXOTHRPLBH-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.08
Rot. Bonds6

About tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate

tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate (PubChem CID 106508968) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
PubChem CID106508968
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CO)CCC1CCCO1
InChIInChI=1S/C14H27NO4/c1-14(2,3)19-13(17)15-9-11(10-16)6-7-12-5-4-8-18-12/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyWOAARXOTHRPLBH-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.08
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-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
CID 106507509
tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
CID 106508878
tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
CID 31400679
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
tert-butyl N-[2-(hydroxymethyl)-5-methoxypentyl]carbamate
CID 106508903
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
CID 155819333
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
CID 147540302
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970
tert-butyl N-[1-[N'-methyl-N-[2-(oxolan-2-yl)ethyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729465
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(oxolan-2-yl)pentanoic acid
CID 82837575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate (CID 106508968) is tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate is CC(C)(C)OC(=O)NCC(CO)CCC1CCCO1.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate?
The InChIKey is WOAARXOTHRPLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-14(2,3)19-13(17)15-9-11(10-16)6-7-12-5-4-8-18-12/h11-12,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate is sourced from PubChem (CID 106508968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).