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

C11H18N2O5 — CID 66262638

IUPAC3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)NC2(C(=O)O)CCOC2)COCC1N
InChIInChI=1S/C11H18N2O5/c1-10(5-18-4-7(10)12)8(14)13-11(9(15)16)2-3-17-6-11/h7H,2-6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyICYLTUWBSDUUPL-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.29
Rot. Bonds3

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

3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66262638) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66262638
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)NC2(C(=O)O)CCOC2)COCC1N
InChIInChI=1S/C11H18N2O5/c1-10(5-18-4-7(10)12)8(14)13-11(9(15)16)2-3-17-6-11/h7H,2-6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyICYLTUWBSDUUPL-UHFFFAOYSA-N
XLogP-1.29
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 ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66262638) is 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid is CC1(C(=O)NC2(C(=O)O)CCOC2)COCC1N.
What is the InChIKey of 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ICYLTUWBSDUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-10(5-18-4-7(10)12)8(14)13-11(9(15)16)2-3-17-6-11/h7H,2-6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66262638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).