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

C13H24N2O3 — CID 55150818

IUPAC1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(=O)CN1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)15(10(3)4)12(16)8-14-6-5-11(7-14)13(17)18/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeyVCOZFMSOVPWBHS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds5

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

1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 55150818) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID55150818
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(=O)CN1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)15(10(3)4)12(16)8-14-6-5-11(7-14)13(17)18/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeyVCOZFMSOVPWBHS-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 55150818) is 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC(C)N(C(=O)CN1CCC(C(=O)O)C1)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VCOZFMSOVPWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15(10(3)4)12(16)8-14-6-5-11(7-14)13(17)18/h9-11H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55150818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).