3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid

C11H19N3O4 — CID 66248781

IUPAC3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)N1CCNCC1
InChIInChI=1S/C11H19N3O4/c1-11(9(15)16)7-18-6-8(11)13-10(17)14-4-2-12-3-5-14/h8,12H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyNUICFXAWGPGBOY-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.91
Rot. Bonds2

About 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid

3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66248781) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66248781
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)N1CCNCC1
InChIInChI=1S/C11H19N3O4/c1-11(9(15)16)7-18-6-8(11)13-10(17)14-4-2-12-3-5-14/h8,12H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyNUICFXAWGPGBOY-UHFFFAOYSA-N
XLogP-0.91
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(piperazine-1-carbonylamino)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-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66248383
3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)oxolane-3-carboxylic acid
CID 66371282
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762890
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
2-(1,4-diazepane-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762966
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
CID 66249534
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086
3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66250893
4-[2-(azetidin-3-ylidene)propanoylamino]-3-methyloxolane-3-carboxylic acid
CID 116678309
4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79359495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid (CID 66248781) is 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)N1CCNCC1.
What is the InChIKey of 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is NUICFXAWGPGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(9(15)16)7-18-6-8(11)13-10(17)14-4-2-12-3-5-14/h8,12H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid?
3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66248781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).