(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid

C7H13NO4 — CID 66670441

IUPAC(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
SMILESCOC[C@@H]1C[C@H](O)CN1C(=O)O
InChIInChI=1S/C7H13NO4/c1-12-4-5-2-6(9)3-8(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyAHNGIWGUNABPAX-WDSKDSINSA-N
MW175.18 g/mol
LogP-0.25
Rot. Bonds2

About (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid

(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66670441) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID66670441
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
SMILESCOC[C@@H]1C[C@H](O)CN1C(=O)O
InChIInChI=1S/C7H13NO4/c1-12-4-5-2-6(9)3-8(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyAHNGIWGUNABPAX-WDSKDSINSA-N
XLogP-0.25
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid (CID 66670441) is (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid is COC[C@@H]1C[C@H](O)CN1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is AHNGIWGUNABPAX-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO4/c1-12-4-5-2-6(9)3-8(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66670441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).