3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid

C6H11NO4 — CID 67431030

IUPAC3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)NCC(O)C1O
InChIInChI=1S/C6H11NO4/c1-6(5(10)11)4(9)3(8)2-7-6/h3-4,7-9H,2H2,1H3,(H,10,11)
InChIKeyXRHABEPTHCQYED-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.85
Rot. Bonds1

About 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid

3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 67431030) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
PubChem CID67431030
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)NCC(O)C1O
InChIInChI=1S/C6H11NO4/c1-6(5(10)11)4(9)3(8)2-7-6/h3-4,7-9H,2H2,1H3,(H,10,11)
InChIKeyXRHABEPTHCQYED-UHFFFAOYSA-N
XLogP-1.85
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid (CID 67431030) is 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)NCC(O)C1O.
What is the InChIKey of 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is XRHABEPTHCQYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-6(5(10)11)4(9)3(8)2-7-6/h3-4,7-9H,2H2,1H3,(H,10,11).
What are the key properties of 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid?
3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of -1.85, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67431030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).