tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate

C9H17NO3 — CID 71775631

IUPACtert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1CO
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-7-4-6(7)5-11/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyOCKKMJSVLVALMF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.89
Rot. Bonds2

About tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate

tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate (PubChem CID 71775631) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
PubChem CID71775631
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1CO
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-7-4-6(7)5-11/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyOCKKMJSVLVALMF-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]carbamate
CID 131121227
tert-butyl N-[(2S,5R)-5-fluoro-2-(hydroxymethyl)cyclohexyl]carbamate
CID 170214563
tert-butyl N-[(1S,2S,5S)-2-(hydroxymethyl)-5-methoxycyclohexyl]carbamate
CID 169190605
tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
CID 131849638
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetate
CID 85167368
tert-butyl N-[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate
CID 101136349
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate
CID 174616207
tert-butyl N-[(1R,2S,3S,4R)-2-azido-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 102168738
tert-butyl N-[(2S,3S)-2-(hydroxymethyl)oxetan-3-yl]carbamate
CID 24774076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate (CID 71775631) is tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1CO.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate?
The InChIKey is OCKKMJSVLVALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-7-4-6(7)5-11/h6-7,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 0.89, 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-(hydroxymethyl)cyclopropyl]carbamate is sourced from PubChem (CID 71775631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).