3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid

C12H20N2O5 — CID 64893257

IUPAC3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOC1)C1CCOCC1
InChIInChI=1S/C12H20N2O5/c1-14(9-2-5-18-6-3-9)11(17)13-12(10(15)16)4-7-19-8-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyGVNZSGYMDBNXPP-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.05
Rot. Bonds3

About 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64893257) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64893257
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCOC1)C1CCOCC1
InChIInChI=1S/C12H20N2O5/c1-14(9-2-5-18-6-3-9)11(17)13-12(10(15)16)4-7-19-8-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyGVNZSGYMDBNXPP-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
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115292903
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892270
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
1-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451281

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64893257) is 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCOC1)C1CCOCC1.
What is the InChIKey of 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is GVNZSGYMDBNXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14(9-2-5-18-6-3-9)11(17)13-12(10(15)16)4-7-19-8-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-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 3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64893257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).