1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid

C15H28N2O4 — CID 106978854

IUPAC1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C(=O)NCCCOC
InChIInChI=1S/C15H28N2O4/c1-4-7-15(14(19)20)8-5-10-17(15)12(2)13(18)16-9-6-11-21-3/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRJBJMNBOSYWIMB-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.25
Rot. Bonds9

About 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid

1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978854) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978854
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C(=O)NCCCOC
InChIInChI=1S/C15H28N2O4/c1-4-7-15(14(19)20)8-5-10-17(15)12(2)13(18)16-9-6-11-21-3/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRJBJMNBOSYWIMB-UHFFFAOYSA-N
XLogP1.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83079824
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83070935
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
2-ethyl-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080375
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 115873942
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978309
2-ethyl-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080884
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978854) is 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)C(=O)NCCCOC.
What is the InChIKey of 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is RJBJMNBOSYWIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-7-15(14(19)20)8-5-10-17(15)12(2)13(18)16-9-6-11-21-3/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid?
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).