tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate

C12H23NO3 — CID 171784493

IUPACtert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)C1(CO)CCC1
InChIInChI=1S/C12H23NO3/c1-5-13(10(15)16-11(2,3)4)12(9-14)7-6-8-12/h14H,5-9H2,1-4H3
InChIKeyDZKMAPGVMDYPER-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate

tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate (PubChem CID 171784493) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
PubChem CID171784493
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)C1(CO)CCC1
InChIInChI=1S/C12H23NO3/c1-5-13(10(15)16-11(2,3)4)12(9-14)7-6-8-12/h14H,5-9H2,1-4H3
InChIKeyDZKMAPGVMDYPER-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857394
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
CID 84692072
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-methylazepane-4-carboxylic acid
CID 65074907
3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4-dimethylcyclohexane-1-carboxylic acid
CID 64753944
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpiperidine-4-carboxylic acid
CID 114500631
tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416864
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663418
tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
CID 165095069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate (CID 171784493) is tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate is CCN(C(=O)OC(C)(C)C)C1(CO)CCC1.
What is the InChIKey of tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate?
The InChIKey is DZKMAPGVMDYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13(10(15)16-11(2,3)4)12(9-14)7-6-8-12/h14H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate?
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate is sourced from PubChem (CID 171784493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).