1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

C13H25NO2 — CID 65064430

IUPAC1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(C)C)C1
InChIInChI=1S/C13H25NO2/c1-5-6-13(12(15)16)7-8-14(9-13)11(4)10(2)3/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyRIVJMHUWOKXZSR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65064430) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65064430
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(C)C)C1
InChIInChI=1S/C13H25NO2/c1-5-6-13(12(15)16)7-8-14(9-13)11(4)10(2)3/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyRIVJMHUWOKXZSR-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
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-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068653
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148630
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068753
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 65064430) is 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)C(C)C)C1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is RIVJMHUWOKXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-6-13(12(15)16)7-8-14(9-13)11(4)10(2)3/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65064430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).