tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate

C16H32N2O3 — CID 103786214

IUPACtert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCOC(C)C(C)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-11(12(2)20-6)18-14-9-7-8-13(14)10-17-15(19)21-16(3,4)5/h11-14,18H,7-10H2,1-6H3,(H,17,19)
InChIKeyKBRBRSQQRLKWKG-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.69
Rot. Bonds6

About tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 103786214) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate
PubChem CID103786214
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCOC(C)C(C)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-11(12(2)20-6)18-14-9-7-8-13(14)10-17-15(19)21-16(3,4)5/h11-14,18H,7-10H2,1-6H3,(H,17,19)
InChIKeyKBRBRSQQRLKWKG-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-aminocyclopentyl)methyl]carbamate
CID 50986497
rac-tert-butyl N-{[(1R,2R)-2-aminocyclopentyl]methyl}carbamate
CID 52421373
tert-butyl N-(2-(aminomethyl)cyclopentyl)carbamate
CID 53486461
tert-butyl (((1R,2R)-2-aminocyclopentyl)methyl)carbamate
CID 52421379
tert-butyl ((1R,2R)-2-(aminomethyl)cyclopentyl)carbamate
CID 94866036
tert-butyl N-{[(1S,2R)-2-aminocyclopentyl]methyl}carbamate
CID 52421377
tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 84589299
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103082598
tert-butyl N-[[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695799
tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate
CID 103947702
tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate
CID 103948695
tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate
CID 66596586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate (CID 103786214) is tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate is COC(C)C(C)NC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is KBRBRSQQRLKWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-11(12(2)20-6)18-14-9-7-8-13(14)10-17-15(19)21-16(3,4)5/h11-14,18H,7-10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103786214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).