tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate

C12H23NO3 — CID 167734232

IUPACtert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(O)C1(C)CC1
InChIInChI=1S/C12H23NO3/c1-10(2,3)16-9(14)13-8-12(5,15)11(4)6-7-11/h15H,6-8H2,1-5H3,(H,13,14)
InChIKeyNOEDSVAOKKUFPO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate

tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate (PubChem CID 167734232) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate
PubChem CID167734232
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(O)C1(C)CC1
InChIInChI=1S/C12H23NO3/c1-10(2,3)16-9(14)13-8-12(5,15)11(4)6-7-11/h15H,6-8H2,1-5H3,(H,13,14)
InChIKeyNOEDSVAOKKUFPO-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
CID 155701570
CID 155701570
tert-butyl N-(bromomethyl)carbamate
CID 20614913
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate (CID 167734232) is tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(C)(O)C1(C)CC1.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate?
The InChIKey is NOEDSVAOKKUFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2,3)16-9(14)13-8-12(5,15)11(4)6-7-11/h15H,6-8H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate?
tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate is sourced from PubChem (CID 167734232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).