tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate

C11H21NO4 — CID 85230878

IUPACtert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCO)C1(O)CC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-8(4-7-13)11(15)5-6-11/h8,13,15H,4-7H2,1-3H3,(H,12,14)
InChIKeyIUFYAZDODBUYBE-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.79
Rot. Bonds4

About tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate

tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate (PubChem CID 85230878) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate
PubChem CID85230878
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCO)C1(O)CC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-8(4-7-13)11(15)5-6-11/h8,13,15H,4-7H2,1-3H3,(H,12,14)
InChIKeyIUFYAZDODBUYBE-UHFFFAOYSA-N
XLogP0.79
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate
CID 156777891
[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] formate
CID 89296265
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
CID 93002503
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
CID 161209613
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl (5S)-7-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoheptanoate
CID 11739040
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 169302219
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate (CID 85230878) is tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate is CC(C)(C)OC(=O)NC(CCO)C1(O)CC1.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate?
The InChIKey is IUFYAZDODBUYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-8(4-7-13)11(15)5-6-11/h8,13,15H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate?
tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate is sourced from PubChem (CID 85230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).