tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate

C11H22N2O3 — CID 143194113

IUPACtert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
SMILESCOC1C[C@H](N)C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-7(12)6-9(8)15-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)/t7-,8+,9?/m1/s1
InChIKeyQEZXAEGNDFTVSY-WGTSGOJVSA-N
MW230.31 g/mol
LogP1.02
Rot. Bonds2

About tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate

tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate (PubChem CID 143194113) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
PubChem CID143194113
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
SMILESCOC1C[C@H](N)C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-7(12)6-9(8)15-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)/t7-,8+,9?/m1/s1
InChIKeyQEZXAEGNDFTVSY-WGTSGOJVSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 155904272
tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 130850378
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
CID 25324803
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate (CID 143194113) is tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate is COC1C[C@H](N)C[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate?
The InChIKey is QEZXAEGNDFTVSY-WGTSGOJVSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-7(12)6-9(8)15-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)/t7-,8+,9?/m1/s1.
What are the key properties of tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate?
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate is sourced from PubChem (CID 143194113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).