tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate

C11H22N2O3 — CID 154653441

IUPACtert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[C@H](N)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-14)9(12)5-8/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9-/m1/s1
InChIKeyFQCYPDCGFBYLAU-HRDYMLBCSA-N
MW230.31 g/mol
LogP0.61
Rot. Bonds2

About tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate

tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 154653441) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID154653441
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[C@H](N)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-14)9(12)5-8/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9-/m1/s1
InChIKeyFQCYPDCGFBYLAU-HRDYMLBCSA-N
XLogP0.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
CID 131745477
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[(1R,3R,4S)-4-amino-3-(methoxymethyl)cyclohexyl]carbamate
CID 68765639
methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate
CID 59033010
tert-butyl N-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]carbamate
CID 131121227
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 98052973
tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 25324125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate (CID 154653441) is tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[C@H](N)C1.
What is the InChIKey of tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is FQCYPDCGFBYLAU-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-14)9(12)5-8/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9-/m1/s1.
What are the key properties of tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate?
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 154653441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).