tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate

C16H30N2O3 — CID 166553850

IUPACtert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)[C@H](CCCC1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-13(14(19)17-4)11-7-10-12-8-5-6-9-12/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyIEDSOTWAGMWXEP-ZDUSSCGKSA-N
MW298.43 g/mol
LogP2.99
Rot. Bonds6

About tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (PubChem CID 166553850) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
PubChem CID166553850
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)[C@H](CCCC1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-13(14(19)17-4)11-7-10-12-8-5-6-9-12/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyIEDSOTWAGMWXEP-ZDUSSCGKSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(4-hydroxycyclohexyl)-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 175536770
tert-butyl N-[1-(methylamino)-1-oxo-5-[4-(trifluoromethyl)cyclohexyl]pentan-2-yl]carbamate
CID 175536652
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
tert-butyl N-[(2R)-5-(chloroamino)-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 59806972
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl N-[(2S)-1-(cycloheptylamino)-1-oxo-7-sulfanylheptan-2-yl]carbamate
CID 11844893
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
(1R,3S,4S)-2-[(2S)-5-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 170010322
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 67873967
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (CID 166553850) is tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is CNC(=O)[C@H](CCCC1CCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The InChIKey is IEDSOTWAGMWXEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-13(14(19)17-4)11-7-10-12-8-5-6-9-12/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 166553850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).