4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid

C11H20N2O4 — CID 66237430

IUPAC4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)NCC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)12-4-10(14)13(3)9-6-17-5-8(9)11(15)16/h7-9,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyHJVQLINPGQOGMA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds5

About 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid

4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66237430) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66237430
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)NCC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)12-4-10(14)13(3)9-6-17-5-8(9)11(15)16/h7-9,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyHJVQLINPGQOGMA-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 82964251
4-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260757
4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235417
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267114
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 81168934
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid (CID 66237430) is 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid is CC(C)NCC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is HJVQLINPGQOGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)12-4-10(14)13(3)9-6-17-5-8(9)11(15)16/h7-9,12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).