(2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid

C7H11NO4 — CID 15544535

IUPAC(2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c9-6(10)4-8-3-1-2-5(8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyZCIXWIPMALYWJT-YFKPBYRVSA-N
MW173.17 g/mol
LogP-0.38
Rot. Bonds3

About (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid

(2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 15544535) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID15544535
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c9-6(10)4-8-3-1-2-5(8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyZCIXWIPMALYWJT-YFKPBYRVSA-N
XLogP-0.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid (CID 15544535) is (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid is O=C(O)CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZCIXWIPMALYWJT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(10)4-8-3-1-2-5(8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(carboxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15544535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).