4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

C11H18N2O5 — CID 66249530

IUPAC4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1COCC1N
InChIInChI=1S/C11H18N2O5/c1-11(10(15)16)5-18-4-8(11)13-9(14)6-2-17-3-7(6)12/h6-8H,2-5,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyPKNUEHZCXVZPDW-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.43
Rot. Bonds3

About 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66249530) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66249530
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1COCC1N
InChIInChI=1S/C11H18N2O5/c1-11(10(15)16)5-18-4-8(11)13-9(14)6-2-17-3-7(6)12/h6-8H,2-5,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyPKNUEHZCXVZPDW-UHFFFAOYSA-N
XLogP-1.43
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66249530) is 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C1COCC1N.
What is the InChIKey of 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is PKNUEHZCXVZPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(10(15)16)5-18-4-8(11)13-9(14)6-2-17-3-7(6)12/h6-8H,2-5,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66249530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).