1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid

C10H17NO4 — CID 3127493

IUPAC1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)COC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-5-3-4-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyHSNCMAULVXJUDZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds3

About 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid

1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 3127493) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID3127493
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)COC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-5-3-4-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyHSNCMAULVXJUDZ-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 3127493) is 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid is CC(C)COC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HSNCMAULVXJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-5-3-4-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid?
1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3127493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).