benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate

C14H16N2O3 — CID 97169065

IUPACbenzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
SMILESO=C1C[C@@]2(CCN(C(=O)OCc3ccccc3)C2)N1
InChIInChI=1S/C14H16N2O3/c17-12-8-14(15-12)6-7-16(10-14)13(18)19-9-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,17)/t14-/m1/s1
InChIKeyQTGLBMUSHVOERF-CQSZACIVSA-N
MW260.29 g/mol
LogP1.29
Rot. Bonds2

About benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate

benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate (PubChem CID 97169065) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
PubChem CID97169065
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namebenzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
SMILESO=C1C[C@@]2(CCN(C(=O)OCc3ccccc3)C2)N1
InChIInChI=1S/C14H16N2O3/c17-12-8-14(15-12)6-7-16(10-14)13(18)19-9-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,17)/t14-/m1/s1
InChIKeyQTGLBMUSHVOERF-CQSZACIVSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155892862
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 175977278
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate?
The IUPAC name of benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate (CID 97169065) is benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate is O=C1C[C@@]2(CCN(C(=O)OCc3ccccc3)C2)N1.
What is the InChIKey of benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate?
The InChIKey is QTGLBMUSHVOERF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-8-14(15-12)6-7-16(10-14)13(18)19-9-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,17)/t14-/m1/s1.
What are the key properties of benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate?
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 97169065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).