tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate

C19H30N2O3 — CID 70048083

IUPACtert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](O)(CCC1CCCCC1)c1ccccn1
InChIInChI=1S/C19H30N2O3/c1-18(2,3)24-17(22)21-19(23,16-11-7-8-14-20-16)13-12-15-9-5-4-6-10-15/h7-8,11,14-15,23H,4-6,9-10,12-13H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyADSCQQHWQFGIEA-LJQANCHMSA-N
MW334.46 g/mol
LogP4.11
Rot. Bonds5

About tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate

tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate (PubChem CID 70048083) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate
PubChem CID70048083
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](O)(CCC1CCCCC1)c1ccccn1
InChIInChI=1S/C19H30N2O3/c1-18(2,3)24-17(22)21-19(23,16-11-7-8-14-20-16)13-12-15-9-5-4-6-10-15/h7-8,11,14-15,23H,4-6,9-10,12-13H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyADSCQQHWQFGIEA-LJQANCHMSA-N
XLogP4.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
CID 107240302
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate
CID 70041530
2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 22284629
N-cyclohexylcyclohexanamine;(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;hydrochloride
CID 68946003
1-O-[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-O-tert-butyl (2R)-2-(3-cyclohexylpropyl)butanedioate
CID 16748795
1-O-[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-O-tert-butyl (2S)-2-(3-cyclohexylpropyl)butanedioate
CID 22770799
(2S)-2-amino-3-cyclohexyl-2-methylpropanoic acid;(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 162214178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate (CID 70048083) is tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate is CC(C)(C)OC(=O)N[C@@](O)(CCC1CCCCC1)c1ccccn1.
What is the InChIKey of tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate?
The InChIKey is ADSCQQHWQFGIEA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-18(2,3)24-17(22)21-19(23,16-11-7-8-14-20-16)13-12-15-9-5-4-6-10-15/h7-8,11,14-15,23H,4-6,9-10,12-13H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate?
tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-cyclohexyl-1-hydroxy-1-pyridin-2-ylpropyl]carbamate is sourced from PubChem (CID 70048083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).