5-(methoxymethyl)pyrrolidine-2-carboxylic acid

C7H13NO3 — CID 112575004

IUPAC5-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1CCC(C(=O)O)N1
InChIInChI=1S/C7H13NO3/c1-11-4-5-2-3-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyKHSCSHCKVLUXAQ-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.16
Rot. Bonds3

About 5-(methoxymethyl)pyrrolidine-2-carboxylic acid

5-(methoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 112575004) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 5-(methoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID112575004
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name5-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1CCC(C(=O)O)N1
InChIInChI=1S/C7H13NO3/c1-11-4-5-2-3-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyKHSCSHCKVLUXAQ-UHFFFAOYSA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)pyrrolidine-2-carboxylic acid (CID 112575004) is 5-(methoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)pyrrolidine-2-carboxylic acid is COCC1CCC(C(=O)O)N1.
What is the InChIKey of 5-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KHSCSHCKVLUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-4-5-2-3-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-(methoxymethyl)pyrrolidine-2-carboxylic acid?
5-(methoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112575004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).