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

C20H41NO4Si — CID 175157505

IUPACtert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid
SMILESCC(C)[Si](O[C@H]1C[C@H](N(C(=O)O)C(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,23,24)/t16-,17-,18+/m1/s1
InChIKeyIESWFGMIOIAUPH-KURKYZTESA-N
MW387.64 g/mol
LogP5.10
Rot. Bonds7

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

tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid (PubChem CID 175157505) has the molecular formula C20H41NO4Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid
PubChem CID175157505
Molecular FormulaC20H41NO4Si
Molecular Weight387.64 g/mol
Exact Mass387.28
IUPAC Nametert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid
SMILESCC(C)[Si](O[C@H]1C[C@H](N(C(=O)O)C(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,23,24)/t16-,17-,18+/m1/s1
InChIKeyIESWFGMIOIAUPH-KURKYZTESA-N
XLogP5.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.64
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid (CID 175157505) is tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid is CC(C)[Si](O[C@H]1C[C@H](N(C(=O)O)C(C)(C)C)C[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid?
The InChIKey is IESWFGMIOIAUPH-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,23,24)/t16-,17-,18+/m1/s1.
What are the key properties of tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid?
tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid has a molecular weight of 387.64 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamic acid is sourced from PubChem (CID 175157505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).