tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate

C14H25NO3 — CID 178190915

IUPACtert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate
SMILESCCC(C)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-9(2)12(16)11-7-10(11)8-15-13(17)18-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)/t9?,10-,11-/m0/s1
InChIKeyLXUSHSPGGCAIMS-DVRYWGNFSA-N
MW255.36 g/mol
LogP2.76
Rot. Bonds5

About tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate

tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate (PubChem CID 178190915) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate
PubChem CID178190915
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate
SMILESCCC(C)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-9(2)12(16)11-7-10(11)8-15-13(17)18-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)/t9?,10-,11-/m0/s1
InChIKeyLXUSHSPGGCAIMS-DVRYWGNFSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(2R)-2-aminopropyl]carbamate
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tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
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tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate (CID 178190915) is tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate is CCC(C)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate?
The InChIKey is LXUSHSPGGCAIMS-DVRYWGNFSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-9(2)12(16)11-7-10(11)8-15-13(17)18-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)/t9?,10-,11-/m0/s1.
What are the key properties of tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,2S)-2-(2-methylbutanoyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 178190915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).