tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate

C11H22N2O3 — CID 139026814

IUPACtert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CN)C[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-12)5-9(8)14/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9+/m0/s1
InChIKeyBBBIVYGTEHXNPD-DJLDLDEBSA-N
MW230.31 g/mol
LogP0.61
Rot. Bonds2

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

tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate (PubChem CID 139026814) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate
PubChem CID139026814
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CN)C[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-12)5-9(8)14/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9+/m0/s1
InChIKeyBBBIVYGTEHXNPD-DJLDLDEBSA-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-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
cis-ethyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 153283100
(1S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59781617
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526
trans-methyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 142048047
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate
CID 169260941
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] propanoate
CID 175294543

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate (CID 139026814) is tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](CN)C[C@H]1O.
What is the InChIKey of tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate?
The InChIKey is BBBIVYGTEHXNPD-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-12)5-9(8)14/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate?
tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]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-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate is sourced from PubChem (CID 139026814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).