4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid

C12H18N2O5 — CID 60810212

IUPAC4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC(=O)N2CCOC2=O)CC1
InChIInChI=1S/C12H18N2O5/c15-10(14-5-6-19-12(14)18)7-13-9-3-1-8(2-4-9)11(16)17/h8-9,13H,1-7H2,(H,16,17)
InChIKeyYPNQYYAWNKLRKW-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.20
Rot. Bonds4

About 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60810212) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60810212
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC(=O)N2CCOC2=O)CC1
InChIInChI=1S/C12H18N2O5/c15-10(14-5-6-19-12(14)18)7-13-9-3-1-8(2-4-9)11(16)17/h8-9,13H,1-7H2,(H,16,17)
InChIKeyYPNQYYAWNKLRKW-UHFFFAOYSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

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1-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acid
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7a-epi-Perindopril, (7aR)-
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1-[2-(1-Carboxy-butylamino)-acetyl]-octahydro-indole-2-carboxylic acid
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1-[(2R)-2-(1-carboxybutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 44373617
(2S,3aS,7aS)-1-[(2S)-2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 46705390
1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-, (2S,3aS,7aS)-
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Lisinopril specified impurity F
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid (CID 60810212) is 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC(=O)N2CCOC2=O)CC1.
What is the InChIKey of 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YPNQYYAWNKLRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-10(14-5-6-19-12(14)18)7-13-9-3-1-8(2-4-9)11(16)17/h8-9,13H,1-7H2,(H,16,17).
What are the key properties of 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).