5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid

C15H16N2O5 — CID 126640135

IUPAC5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid
SMILESO=C(NC1CC(=O)N(C(=O)O)C12CC2)OCc1ccccc1
InChIInChI=1S/C15H16N2O5/c18-12-8-11(15(6-7-15)17(12)14(20)21)16-13(19)22-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,19)(H,20,21)
InChIKeyOWLJGIWLLFSZCX-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.72
Rot. Bonds3

About 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid

5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid (PubChem CID 126640135) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid
PubChem CID126640135
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid
SMILESO=C(NC1CC(=O)N(C(=O)O)C12CC2)OCc1ccccc1
InChIInChI=1S/C15H16N2O5/c18-12-8-11(15(6-7-15)17(12)14(20)21)16-13(19)22-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,19)(H,20,21)
InChIKeyOWLJGIWLLFSZCX-UHFFFAOYSA-N
XLogP1.72
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 165465604
7-methyl-4-oxo-2-(phenylmethoxycarbonylamino)-3,7-dihydro-2H-azepine-1-carboxylic acid
CID 155145980
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
1-[(2S)-2-amino-3-carboxy-4-phenylbutanoyl]-2-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
CID 159774287
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
benzyl N-[(1R,2R,5R)-2-[(chloroamino)methyl]-2-hydroxy-5-methylcyclohexyl]carbamate
CID 153296021
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid?
The IUPAC name of 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid (CID 126640135) is 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid.
What is the SMILES notation for 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid?
The canonical SMILES for 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid is O=C(NC1CC(=O)N(C(=O)O)C12CC2)OCc1ccccc1.
What is the InChIKey of 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid?
The InChIKey is OWLJGIWLLFSZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-12-8-11(15(6-7-15)17(12)14(20)21)16-13(19)22-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,19)(H,20,21).
What are the key properties of 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid?
5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-(phenylmethoxycarbonylamino)-4-azaspiro[2.4]heptane-4-carboxylic acid is sourced from PubChem (CID 126640135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).