1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 63149279

IUPAC1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCOC(C)(C)C2)C1
InChIInChI=1S/C15H26N2O4/c1-4-5-15(12(18)19)6-7-16(11-15)13(20)17-8-9-21-14(2,3)10-17/h4-11H2,1-3H3,(H,18,19)
InChIKeyWUSNTCRVIAEYHI-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds3

About 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63149279) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63149279
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCOC(C)(C)C2)C1
InChIInChI=1S/C15H26N2O4/c1-4-5-15(12(18)19)6-7-16(11-15)13(20)17-8-9-21-14(2,3)10-17/h4-11H2,1-3H3,(H,18,19)
InChIKeyWUSNTCRVIAEYHI-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-but-2-ynoyl-3-propylpyrrolidine-3-carboxylic acid
CID 107986661
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165762
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63149279) is 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N2CCOC(C)(C)C2)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is WUSNTCRVIAEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-5-15(12(18)19)6-7-16(11-15)13(20)17-8-9-21-14(2,3)10-17/h4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).