benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

C16H22N2O3 — CID 170907398

IUPACbenzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESN[C@@H]1COCC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H22N2O3/c17-14-11-20-12-16(14)6-8-18(9-7-16)15(19)21-10-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2/t14-/m1/s1
InChIKeyPBVIZFYYDXBPPR-CQSZACIVSA-N
MW290.36 g/mol
LogP1.76
Rot. Bonds2

About benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 170907398) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID170907398
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namebenzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESN[C@@H]1COCC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H22N2O3/c17-14-11-20-12-16(14)6-8-18(9-7-16)15(19)21-10-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2/t14-/m1/s1
InChIKeyPBVIZFYYDXBPPR-CQSZACIVSA-N
XLogP1.76
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
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
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
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
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl (4R)-4-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]oxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69146215
benzyl (4S)-4-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]oxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69148445
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 170907398) is benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is N[C@@H]1COCC12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is PBVIZFYYDXBPPR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-14-11-20-12-16(14)6-8-18(9-7-16)15(19)21-10-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2/t14-/m1/s1.
What are the key properties of benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 170907398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).