4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid

C11H18N2O4 — CID 66241338

IUPAC4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1COCC1C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O4/c1-6(7-2-3-7)12-11(16)13-9-5-17-4-8(9)10(14)15/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeySSERUGFGNNOIBF-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.18
Rot. Bonds4

About 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid

4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66241338) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66241338
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1COCC1C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O4/c1-6(7-2-3-7)12-11(16)13-9-5-17-4-8(9)10(14)15/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeySSERUGFGNNOIBF-UHFFFAOYSA-N
XLogP0.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid (CID 66241338) is 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid is CC(NC(=O)NC1COCC1C(=O)O)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is SSERUGFGNNOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(7-2-3-7)12-11(16)13-9-5-17-4-8(9)10(14)15/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid?
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66241338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).