3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid

C12H20N2O4 — CID 66249534

IUPAC3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CCCNC1
InChIInChI=1S/C12H20N2O4/c1-12(11(16)17)7-18-6-9(12)14-10(15)8-3-2-4-13-5-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyQBQYYPOZBYLOAX-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.41
Rot. Bonds3

About 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid

3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66249534) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66249534
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CCCNC1
InChIInChI=1S/C12H20N2O4/c1-12(11(16)17)7-18-6-9(12)14-10(15)8-3-2-4-13-5-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyQBQYYPOZBYLOAX-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 82762406
3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 83193572
3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66250893
3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175667
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 81134235
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
3-methyl-4-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66248512
4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256630
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid (CID 66249534) is 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C1CCCNC1.
What is the InChIKey of 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is QBQYYPOZBYLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(11(16)17)7-18-6-9(12)14-10(15)8-3-2-4-13-5-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid?
3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66249534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).