1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid

C14H26N2O4 — CID 64605109

IUPAC1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NC(C)CCOC)C1
InChIInChI=1S/C14H26N2O4/c1-4-6-14(12(17)18)7-8-16(10-14)13(19)15-11(2)5-9-20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyQVPMVXDROBKROQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds7

About 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 64605109) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID64605109
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NC(C)CCOC)C1
InChIInChI=1S/C14H26N2O4/c1-4-6-14(12(17)18)7-8-16(10-14)13(19)15-11(2)5-9-20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyQVPMVXDROBKROQ-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-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

1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 79282003
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145413
1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145817
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-(but-3-yn-2-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 114418501
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63958831
3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63148190
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 64605109) is 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NC(C)CCOC)C1.
What is the InChIKey of 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is QVPMVXDROBKROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-6-14(12(17)18)7-8-16(10-14)13(19)15-11(2)5-9-20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64605109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).