1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid

C14H25NO3 — CID 55165762

IUPAC1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C(C)(C)CC)C1
InChIInChI=1S/C14H25NO3/c1-5-7-14(12(17)18)8-9-15(10-14)11(16)13(3,4)6-2/h5-10H2,1-4H3,(H,17,18)
InChIKeyPIDLNTAZQBELRL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165762) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165762
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C(C)(C)CC)C1
InChIInChI=1S/C14H25NO3/c1-5-7-14(12(17)18)8-9-15(10-14)11(16)13(3,4)6-2/h5-10H2,1-4H3,(H,17,18)
InChIKeyPIDLNTAZQBELRL-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-but-2-ynoyl-3-propylpyrrolidine-3-carboxylic acid
CID 107986661
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 55165762) is 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C(C)(C)CC)C1.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is PIDLNTAZQBELRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-7-14(12(17)18)8-9-15(10-14)11(16)13(3,4)6-2/h5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).