4-methoxycarbonylpyrrolidine-3-carboxylic acid

C7H11NO4 — CID 12963323

IUPAC4-methoxycarbonylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)C1CNCC1C(=O)O
InChIInChI=1S/C7H11NO4/c1-12-7(11)5-3-8-2-4(5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyMAWAGXKOVLDPQH-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.92
Rot. Bonds2

About 4-methoxycarbonylpyrrolidine-3-carboxylic acid

4-methoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 12963323) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-methoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID12963323
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name4-methoxycarbonylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)C1CNCC1C(=O)O
InChIInChI=1S/C7H11NO4/c1-12-7(11)5-3-8-2-4(5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyMAWAGXKOVLDPQH-UHFFFAOYSA-N
XLogP-0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methoxycarbonylpyrrolidine-3-carboxylic acid (CID 12963323) is 4-methoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methoxycarbonylpyrrolidine-3-carboxylic acid is COC(=O)C1CNCC1C(=O)O.
What is the InChIKey of 4-methoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is MAWAGXKOVLDPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-7(11)5-3-8-2-4(5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 4-methoxycarbonylpyrrolidine-3-carboxylic acid?
4-methoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 12963323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).