1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

C15H28N2O3 — CID 63149265

IUPAC1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N(CC)C(C)CC)C1
InChIInChI=1S/C15H28N2O3/c1-5-8-15(13(18)19)9-10-16(11-15)14(20)17(7-3)12(4)6-2/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeySJLVDEOYLYTOPN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds6

About 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63149265) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63149265
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N(CC)C(C)CC)C1
InChIInChI=1S/C15H28N2O3/c1-5-8-15(13(18)19)9-10-16(11-15)14(20)17(7-3)12(4)6-2/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeySJLVDEOYLYTOPN-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[butan-2-yl(ethyl)carbamoyl]-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-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115986528
1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179302
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147465
1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145413
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165762

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63149265) is 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N(CC)C(C)CC)C1.
What is the InChIKey of 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is SJLVDEOYLYTOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-8-15(13(18)19)9-10-16(11-15)14(20)17(7-3)12(4)6-2/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).