1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 107400193

IUPAC1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-3-15(13(18)19)8-9-17(11-15)14(20)16(4-2)10-12-6-5-7-12/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyDKMDNCAFSDLODS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.42
Rot. Bonds5

About 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 107400193) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID107400193
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-3-15(13(18)19)8-9-17(11-15)14(20)16(4-2)10-12-6-5-7-12/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyDKMDNCAFSDLODS-UHFFFAOYSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 107400193) is 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is CCN(CC1CCC1)C(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is DKMDNCAFSDLODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(13(18)19)8-9-17(11-15)14(20)16(4-2)10-12-6-5-7-12/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107400193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).