(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid

C7H13NO3 — CID 638217

IUPAC(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid
SMILESCO[C@H]1C[C@H](C(=O)O)N(C)C1
InChIInChI=1S/C7H13NO3/c1-8-4-5(11-2)3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyLCRFCICIBIZKQT-NTSWFWBYSA-N
MW159.18 g/mol
LogP-0.21
Rot. Bonds2

About (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid

(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 638217) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid
PubChem CID638217
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid
SMILESCO[C@H]1C[C@H](C(=O)O)N(C)C1
InChIInChI=1S/C7H13NO3/c1-8-4-5(11-2)3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyLCRFCICIBIZKQT-NTSWFWBYSA-N
XLogP-0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid (CID 638217) is (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid is CO[C@H]1C[C@H](C(=O)O)N(C)C1.
What is the InChIKey of (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LCRFCICIBIZKQT-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-4-5(11-2)3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid?
(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 638217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).