tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate

C16H29NO3 — CID 135011721

IUPACtert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C(CCO)CC2CC1C2(C)C
InChIInChI=1S/C16H29NO3/c1-15(2,3)20-14(19)17-13-10(6-7-18)8-11-9-12(13)16(11,4)5/h10-13,18H,6-9H2,1-5H3,(H,17,19)/t10?,11?,12?,13-/m1/s1
InChIKeyMOBVETAVRUFNPQ-NODFVKRRSA-N
MW283.41 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate

tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate (PubChem CID 135011721) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate
PubChem CID135011721
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C(CCO)CC2CC1C2(C)C
InChIInChI=1S/C16H29NO3/c1-15(2,3)20-14(19)17-13-10(6-7-18)8-11-9-12(13)16(11,4)5/h10-13,18H,6-9H2,1-5H3,(H,17,19)/t10?,11?,12?,13-/m1/s1
InChIKeyMOBVETAVRUFNPQ-NODFVKRRSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R,3S,5S)-3-[(Z)-6-cyanohex-2-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate
CID 67871240
tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate
CID 102577946
tert-butyl N-[(1S,2S,4S,7S)-2-(hydroxymethyl)-7-bicyclo[2.2.1]heptanyl]carbamate
CID 129451895
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
CID 102483030
2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 15450538
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 163289447
ethyl (2S)-2-[[(1S,2S,3R,5S)-6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-3-carbonyl]amino]-3-phenylpropanoate
CID 102413255
tert-butyl N-[(1R,2S,6R)-2-(hydroxymethyl)-6-methoxycyclohexyl]carbamate
CID 169067980
tert-butyl N-[(1R,5S,6R,7R)-7-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]carbamate
CID 178194186
tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 117273576
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate (CID 135011721) is tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C(CCO)CC2CC1C2(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate?
The InChIKey is MOBVETAVRUFNPQ-NODFVKRRSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)20-14(19)17-13-10(6-7-18)8-11-9-12(13)16(11,4)5/h10-13,18H,6-9H2,1-5H3,(H,17,19)/t10?,11?,12?,13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate?
tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate has a molecular weight of 283.41 g/mol, XLogP of 2.94, 3 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-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate is sourced from PubChem (CID 135011721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).