tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate

C11H21NO3 — CID 167726889

IUPACtert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)CC1CC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(13)6-8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyGLQAUYYBTAZNHL-SECBINFHSA-N
MW215.29 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate

tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate (PubChem CID 167726889) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
PubChem CID167726889
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)CC1CC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(13)6-8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyGLQAUYYBTAZNHL-SECBINFHSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10241638
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tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
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tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
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tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
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tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
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tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate (CID 167726889) is tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)CC1CC1.
What is the InChIKey of tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate?
The InChIKey is GLQAUYYBTAZNHL-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(13)6-8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate?
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate is sourced from PubChem (CID 167726889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).