tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate

C20H41NO4Si — CID 131745477

IUPACtert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
SMILESCC(C)[Si](O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C20H41NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-11-17(10-16(18)12-22)21-19(23)24-20(7,8)9/h13-18,22H,10-12H2,1-9H3,(H,21,23)/t16-,17-,18+/m1/s1
InChIKeyUUGWELQZKBBCTO-KURKYZTESA-N
MW387.64 g/mol
LogP4.84
Rot. Bonds7

About tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate

tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate (PubChem CID 131745477) has the molecular formula C20H41NO4Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
PubChem CID131745477
Molecular FormulaC20H41NO4Si
Molecular Weight387.64 g/mol
Exact Mass387.28
IUPAC Nametert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
SMILESCC(C)[Si](O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C20H41NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-11-17(10-16(18)12-22)21-19(23)24-20(7,8)9/h13-18,22H,10-12H2,1-9H3,(H,21,23)/t16-,17-,18+/m1/s1
InChIKeyUUGWELQZKBBCTO-KURKYZTESA-N
XLogP4.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
CID 140753713
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid
CID 175157505
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate
CID 59033010
tert-butyl N-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]carbamate
CID 131121227
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
CID 174621376

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate (CID 131745477) is tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate is CC(C)[Si](O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
The InChIKey is UUGWELQZKBBCTO-KURKYZTESA-N. The full InChI is InChI=1S/C20H41NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-11-17(10-16(18)12-22)21-19(23)24-20(7,8)9/h13-18,22H,10-12H2,1-9H3,(H,21,23)/t16-,17-,18+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate has a molecular weight of 387.64 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate is sourced from PubChem (CID 131745477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).