1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 63149610

IUPAC1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCC2CCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-6-14(12(17)18)7-8-16(10-14)13(19)15-9-11-4-3-5-11/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyMFGIIAMREPRGCA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds5

About 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63149610) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63149610
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCC2CCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-6-14(12(17)18)7-8-16(10-14)13(19)15-9-11-4-3-5-11/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyMFGIIAMREPRGCA-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
1-[(1,1-dioxothiolan-3-yl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147573
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145607
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
3-ethyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147259

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63149610) is 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is MFGIIAMREPRGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-6-14(12(17)18)7-8-16(10-14)13(19)15-9-11-4-3-5-11/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).