4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid

C9H14N2O6 — CID 66238536

IUPAC4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCOC(=O)CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H14N2O6/c1-16-7(12)2-10-9(15)11-6-4-17-3-5(6)8(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyKISVCAMHHSFHRP-UHFFFAOYSA-N
MW246.22 g/mol
LogP-1.44
Rot. Bonds4

About 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238536) has the molecular formula C9H14N2O6 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238536
Molecular FormulaC9H14N2O6
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCOC(=O)CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H14N2O6/c1-16-7(12)2-10-9(15)11-6-4-17-3-5(6)8(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyKISVCAMHHSFHRP-UHFFFAOYSA-N
XLogP-1.44
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66238536) is 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid is COC(=O)CNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is KISVCAMHHSFHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6/c1-16-7(12)2-10-9(15)11-6-4-17-3-5(6)8(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H2,10,11,15).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of -1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).