4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid

C14H25N3O4 — CID 66252918

IUPAC4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NC1CCN(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-3-5-17(12-9-21-8-11(12)13(18)19)14(20)15-10-4-6-16(2)7-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyOHJYUSVZSXDRJE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.21
Rot. Bonds5

About 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid

4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid (PubChem CID 66252918) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
PubChem CID66252918
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NC1CCN(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-3-5-17(12-9-21-8-11(12)13(18)19)14(20)15-10-4-6-16(2)7-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyOHJYUSVZSXDRJE-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 107297361
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 114505225
4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245153
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid (CID 66252918) is 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)NC1CCN(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid?
The InChIKey is OHJYUSVZSXDRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-5-17(12-9-21-8-11(12)13(18)19)14(20)15-10-4-6-16(2)7-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid?
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).