(2S)-5-methoxypyrrolidine-2-carboxylic acid

C6H11NO3 — CID 70588130

IUPAC(2S)-5-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H11NO3/c1-10-5-3-2-4(7-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m0/s1
InChIKeyVBLCFUVUPUGQFO-ROLXFIACSA-N
MW145.16 g/mol
LogP-0.20
Rot. Bonds2

About (2S)-5-methoxypyrrolidine-2-carboxylic acid

(2S)-5-methoxypyrrolidine-2-carboxylic acid (PubChem CID 70588130) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-5-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-methoxypyrrolidine-2-carboxylic acid
PubChem CID70588130
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S)-5-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H11NO3/c1-10-5-3-2-4(7-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m0/s1
InChIKeyVBLCFUVUPUGQFO-ROLXFIACSA-N
XLogP-0.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-methoxypyrrolidine-2-carboxylic acid (CID 70588130) is (2S)-5-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-methoxypyrrolidine-2-carboxylic acid is COC1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-5-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is VBLCFUVUPUGQFO-ROLXFIACSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-5-3-2-4(7-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m0/s1.
What are the key properties of (2S)-5-methoxypyrrolidine-2-carboxylic acid?
(2S)-5-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70588130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).