1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C16H28N2O3 — CID 107400103

IUPAC1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-4-17(10-13-6-5-7-13)15(21)18-9-8-16(11-18,12(2)3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyOMMYLUTYGAMERH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.66
Rot. Bonds5

About 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 107400103) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID107400103
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-4-17(10-13-6-5-7-13)15(21)18-9-8-16(11-18,12(2)3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyOMMYLUTYGAMERH-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.66
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-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 107400103) is 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCN(CC1CCC1)C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is OMMYLUTYGAMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-17(10-13-6-5-7-13)15(21)18-9-8-16(11-18,12(2)3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.66, 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-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107400103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).