tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate

C13H25NO3 — CID 167725838

IUPACtert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1(O)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2,3)17-10(15)14-12(4,5)13(16)8-6-7-9-13/h16H,6-9H2,1-5H3,(H,14,15)
InChIKeyNTVWGCBBMBNLIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate

tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate (PubChem CID 167725838) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate
PubChem CID167725838
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1(O)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2,3)17-10(15)14-12(4,5)13(16)8-6-7-9-13/h16H,6-9H2,1-5H3,(H,14,15)
InChIKeyNTVWGCBBMBNLIP-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctyl] formate
CID 135186594
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] formate
CID 57097698
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
CID 124676210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate (CID 167725838) is tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1(O)CCCC1.
What is the InChIKey of tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate?
The InChIKey is NTVWGCBBMBNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2,3)17-10(15)14-12(4,5)13(16)8-6-7-9-13/h16H,6-9H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate?
tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate is sourced from PubChem (CID 167725838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).