(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate

C16H18NO4- — CID 86307203

IUPAC(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
SMILESO=C([O-])[C@@H]1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H19NO4/c18-14(19)13-10-16(13)6-8-17(9-7-16)15(20)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)/p-1/t13-/m0/s1
InChIKeyFQFCMBUJUFOXNL-ZDUSSCGKSA-M
MW288.32 g/mol
LogP1.18
Rot. Bonds3

About (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate

(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 86307203) has the molecular formula C16H18NO4- and a molecular weight of 288.32 g/mol. Its IUPAC name is (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Name(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
PubChem CID86307203
Molecular FormulaC16H18NO4-
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
SMILESO=C([O-])[C@@H]1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H19NO4/c18-14(19)13-10-16(13)6-8-17(9-7-16)15(20)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)/p-1/t13-/m0/s1
InChIKeyFQFCMBUJUFOXNL-ZDUSSCGKSA-M
XLogP1.18
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170907398
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 129134942
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 59305246
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
benzyl 2-oxo-4-sulfanyl-8-azaspiro[4.5]decane-8-carboxylate
CID 171485533
benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 142324856

Frequently Asked Questions

What is the IUPAC name of (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate (CID 86307203) is (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate is O=C([O-])[C@@H]1CC12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is FQFCMBUJUFOXNL-ZDUSSCGKSA-M. The full InChI is InChI=1S/C16H19NO4/c18-14(19)13-10-16(13)6-8-17(9-7-16)15(20)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)/p-1/t13-/m0/s1.
What are the key properties of (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate?
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 86307203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).