1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 119904470

IUPAC1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(=O)CN1CCC(C(=O)O)C1)C1CCCC1
InChIInChI=1S/C15H26N2O3/c1-11(2)17(13-5-3-4-6-13)14(18)10-16-8-7-12(9-16)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyGEQGXNMYKYVABW-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 119904470) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID119904470
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(=O)CN1CCC(C(=O)O)C1)C1CCCC1
InChIInChI=1S/C15H26N2O3/c1-11(2)17(13-5-3-4-6-13)14(18)10-16-8-7-12(9-16)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyGEQGXNMYKYVABW-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 119904470) is 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC(C)N(C(=O)CN1CCC(C(=O)O)C1)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GEQGXNMYKYVABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)17(13-5-3-4-6-13)14(18)10-16-8-7-12(9-16)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119904470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).