(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid

C6H11NO3 — CID 12849452

IUPAC(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCO[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyRNXKXUOGQKYKTH-WHFBIAKZSA-N
MW145.16 g/mol
LogP-0.55
Rot. Bonds2

About (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid

(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 12849452) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID12849452
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCO[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyRNXKXUOGQKYKTH-WHFBIAKZSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid (CID 12849452) is (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid is CO[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is RNXKXUOGQKYKTH-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid?
(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12849452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).