4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid

C11H18N2O5 — CID 66248319

IUPAC4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-7(14)13(3)4-9(15)12-8-5-18-6-11(8,2)10(16)17/h8H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyFQWHSILWOJSWAP-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.93
Rot. Bonds4

About 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248319) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248319
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-7(14)13(3)4-9(15)12-8-5-18-6-11(8,2)10(16)17/h8H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyFQWHSILWOJSWAP-UHFFFAOYSA-N
XLogP-0.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66248319) is 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid is CC(=O)N(C)CC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is FQWHSILWOJSWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(14)13(3)4-9(15)12-8-5-18-6-11(8,2)10(16)17/h8H,4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).