3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid

C12H19N3O5 — CID 64894117

IUPAC3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCN1CC(NC(=O)NC2(C(=O)O)CCOC2)CCC1=O
InChIInChI=1S/C12H19N3O5/c1-15-6-8(2-3-9(15)16)13-11(19)14-12(10(17)18)4-5-20-7-12/h8H,2-7H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyQQZSKBZXSFWKSM-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.85
Rot. Bonds3

About 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid

3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64894117) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID64894117
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCN1CC(NC(=O)NC2(C(=O)O)CCOC2)CCC1=O
InChIInChI=1S/C12H19N3O5/c1-15-6-8(2-3-9(15)16)13-11(19)14-12(10(17)18)4-5-20-7-12/h8H,2-7H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyQQZSKBZXSFWKSM-UHFFFAOYSA-N
XLogP-0.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid (CID 64894117) is 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid is CN1CC(NC(=O)NC2(C(=O)O)CCOC2)CCC1=O.
What is the InChIKey of 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is QQZSKBZXSFWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-15-6-8(2-3-9(15)16)13-11(19)14-12(10(17)18)4-5-20-7-12/h8H,2-7H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid?
3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64894117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).