1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 63148630

IUPAC1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(14(19)20)5-6-17(11-15)12(2)13(18)16-7-9-21-10-8-16/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyUAHKOKBXDHNLGJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.81
Rot. Bonds5

About 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63148630) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63148630
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(14(19)20)5-6-17(11-15)12(2)13(18)16-7-9-21-10-8-16/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyUAHKOKBXDHNLGJ-UHFFFAOYSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148720
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 55165973
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068653
1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149279
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
2-methyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 104598665
3-propyl-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63144947

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 63148630) is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UAHKOKBXDHNLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-4-15(14(19)20)5-6-17(11-15)12(2)13(18)16-7-9-21-10-8-16/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).