tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate

C23H46N4O6 — CID 159804213

IUPACtert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate
SMILESCN(C)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O.CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C12H24N2O3.C11H22N2O3/c1-12(2,3)17-11(16)13-8-6-9(14(4)5)10(15)7-8;1-11(2,3)16-10(15)13-7-5-8(12-4)9(14)6-7/h8-10,15H,6-7H2,1-5H3,(H,13,16);7-9,12,14H,5-6H2,1-4H3,(H,13,15)/t8-,9+,10-;7-,8+,9-/m11/s1
InChIKeyNKELFFAIQBRXFG-MNOXLVIHSA-N
MW474.64 g/mol
LogP1.59
Rot. Bonds4

About tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate

tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate (PubChem CID 159804213) has the molecular formula C23H46N4O6 and a molecular weight of 474.64 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate
PubChem CID159804213
Molecular FormulaC23H46N4O6
Molecular Weight474.64 g/mol
Exact Mass474.34
IUPAC Nametert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate
SMILESCN(C)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O.CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C12H24N2O3.C11H22N2O3/c1-12(2,3)17-11(16)13-8-6-9(14(4)5)10(15)7-8;1-11(2,3)16-10(15)13-7-5-8(12-4)9(14)6-7/h8-10,15H,6-7H2,1-5H3,(H,13,16);7-9,12,14H,5-6H2,1-4H3,(H,13,15)/t8-,9+,10-;7-,8+,9-/m11/s1
InChIKeyNKELFFAIQBRXFG-MNOXLVIHSA-N
XLogP1.59
TPSA132.39 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.64
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate with MolForge

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Related Compounds

benzyl N-[(1R,3S,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]-N-methylcarbamate
CID 158931649
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
CID 123706193
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(1S,6S)-6-(dimethylamino)-4-methylcyclohex-3-en-1-yl]carbamate
CID 134429719

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate (CID 159804213) is tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate is CN(C)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O.CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate?
The InChIKey is NKELFFAIQBRXFG-MNOXLVIHSA-N. The full InChI is InChI=1S/C12H24N2O3.C11H22N2O3/c1-12(2,3)17-11(16)13-8-6-9(14(4)5)10(15)7-8;1-11(2,3)16-10(15)13-7-5-8(12-4)9(14)6-7/h8-10,15H,6-7H2,1-5H3,(H,13,16);7-9,12,14H,5-6H2,1-4H3,(H,13,15)/t8-,9+,10-;7-,8+,9-/m11/s1.
What are the key properties of tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate?
tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate has a molecular weight of 474.64 g/mol, XLogP of 1.59, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate is sourced from PubChem (CID 159804213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).