4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid

C12H20N2O5 — CID 82742829

IUPAC4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOCC1)C1CCOC1
InChIInChI=1S/C12H20N2O5/c1-14(9-2-5-19-8-9)11(17)13-12(10(15)16)3-6-18-7-4-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyFGBPYTIXZPMYDZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.05
Rot. Bonds3

About 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 82742829) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID82742829
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOCC1)C1CCOC1
InChIInChI=1S/C12H20N2O5/c1-14(9-2-5-19-8-9)11(17)13-12(10(15)16)3-6-18-7-4-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyFGBPYTIXZPMYDZ-UHFFFAOYSA-N
XLogP0.05
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115292903
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
CID 82749425
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
1-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451281

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid (CID 82742829) is 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCOCC1)C1CCOC1.
What is the InChIKey of 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is FGBPYTIXZPMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14(9-2-5-19-8-9)11(17)13-12(10(15)16)3-6-18-7-4-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 82742829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).