1-methoxycarbonylpyrrolidine-2-carboxylic acid

C7H11NO4 — CID 11126754

IUPAC1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C7H11NO4/c1-12-7(11)8-4-2-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyPNXXTNFAEIJNDV-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds1

About 1-methoxycarbonylpyrrolidine-2-carboxylic acid

1-methoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 11126754) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-methoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-methoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID11126754
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C7H11NO4/c1-12-7(11)8-4-2-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyPNXXTNFAEIJNDV-UHFFFAOYSA-N
XLogP0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-methoxycarbonylpyrrolidine-2-carboxylic acid (CID 11126754) is 1-methoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-methoxycarbonylpyrrolidine-2-carboxylic acid is COC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is PNXXTNFAEIJNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-7(11)8-4-2-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 1-methoxycarbonylpyrrolidine-2-carboxylic acid?
1-methoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11126754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).