tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate

C17H34N2O3 — CID 106251342

IUPACtert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate
SMILESCCC(CC)(CO)CNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-6-17(7-2,12-20)11-18-13-8-9-14(10-13)19-15(21)22-16(3,4)5/h13-14,18,20H,6-12H2,1-5H3,(H,19,21)
InChIKeySLALBXSJMGBOQO-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.82
Rot. Bonds7

About tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate

tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate (PubChem CID 106251342) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate
PubChem CID106251342
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate
SMILESCCC(CC)(CO)CNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-6-17(7-2,12-20)11-18-13-8-9-14(10-13)19-15(21)22-16(3,4)5/h13-14,18,20H,6-12H2,1-5H3,(H,19,21)
InChIKeySLALBXSJMGBOQO-UHFFFAOYSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
CID 106171027
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate (CID 106251342) is tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate is CCC(CC)(CO)CNC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate?
The InChIKey is SLALBXSJMGBOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-6-17(7-2,12-20)11-18-13-8-9-14(10-13)19-15(21)22-16(3,4)5/h13-14,18,20H,6-12H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate?
tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 106251342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).