tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate

C14H27NO3 — CID 129387440

IUPACtert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@H](O)C1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-10-9-12(16)11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyLGCAEXOQVJXKRZ-LBPRGKRZSA-N
MW257.37 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate

tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate (PubChem CID 129387440) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
PubChem CID129387440
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@H](O)C1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-10-9-12(16)11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyLGCAEXOQVJXKRZ-LBPRGKRZSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
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tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
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tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
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tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
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(2S)-4-cyclopentyl-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate (CID 129387440) is tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC[C@H](O)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate?
The InChIKey is LGCAEXOQVJXKRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-10-9-12(16)11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate?
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate is sourced from PubChem (CID 129387440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).