[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate

C12H14N2O5 — CID 163959997

IUPAC[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate
SMILESN[C@@H]1CCC[C@H]1OC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N2O5/c13-10-2-1-3-11(10)19-12(15)18-9-6-4-8(5-7-9)14(16)17/h4-7,10-11H,1-3,13H2/t10-,11-/m1/s1
InChIKeySGQDNMVBWQTMSK-GHMZBOCLSA-N
MW266.25 g/mol
LogP1.99
Rot. Bonds3

About [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate

[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate (PubChem CID 163959997) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate
PubChem CID163959997
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate
SMILESN[C@@H]1CCC[C@H]1OC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N2O5/c13-10-2-1-3-11(10)19-12(15)18-9-6-4-8(5-7-9)14(16)17/h4-7,10-11H,1-3,13H2/t10-,11-/m1/s1
InChIKeySGQDNMVBWQTMSK-GHMZBOCLSA-N
XLogP1.99
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) [(1R,2R)-2-(pyridin-2-yldisulfanyl)cyclopentyl] carbonate
CID 155484740
[(3aS,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrophenyl) carbonate
CID 163335381
(4-nitrophenyl) 2-tricyclo[10.4.0.04,9]hexadeca-5,7,13,15-tetraenyl carbonate
CID 130304770
(3,3-dimethylcyclobutyl) (4-nitrophenyl) carbonate
CID 138719242
(3-methyloxetan-2-yl) (4-nitrophenyl) carbonate
CID 155676835
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyran-4-yl (4-nitrophenyl) carbonate
CID 75586931
cyclooct-2-yn-1-yl (4-nitrophenyl) carbonate
CID 88919399
(4-nitrophenyl) (1-sulfanylcyclopentyl)methyl carbonate
CID 129046819
(4-nitrophenyl) [(1S,2S)-2-(pyridin-2-yldisulfanyl)cycloheptyl] carbonate
CID 155484727
benzyl 3-(4-nitrophenoxy)carbonyloxycyclohexane-1-carboxylate
CID 178033060
[(3R,3aS,4R,6aR)-3-azido-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrophenyl) carbonate
CID 122212294
(4-nitrophenyl) 6-oxothiane-2-carboxylate
CID 15485393

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate?
The IUPAC name of [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate (CID 163959997) is [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate.
What is the SMILES notation for [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate?
The canonical SMILES for [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate is N[C@@H]1CCC[C@H]1OC(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate?
The InChIKey is SGQDNMVBWQTMSK-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-10-2-1-3-11(10)19-12(15)18-9-6-4-8(5-7-9)14(16)17/h4-7,10-11H,1-3,13H2/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate?
[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate has a molecular weight of 266.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate is sourced from PubChem (CID 163959997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).