4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

C11H20N2O5 — CID 66250728

IUPAC4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCOCC(C)NC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(4-17-3)12-10(16)13-8-5-18-6-11(8,2)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyRXZGEQHKYLATKU-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.19
Rot. Bonds5

About 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66250728) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66250728
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCOCC(C)NC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(4-17-3)12-10(16)13-8-5-18-6-11(8,2)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyRXZGEQHKYLATKU-UHFFFAOYSA-N
XLogP-0.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (CID 66250728) is 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is COCC(C)NC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is RXZGEQHKYLATKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(4-17-3)12-10(16)13-8-5-18-6-11(8,2)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).