(2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid

C7H11NO4 — CID 11819494

IUPAC(2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C7H11NO4/c9-6(10)2-4-1-5(7(11)12)8-3-4/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+/m1/s1
InChIKeyQNMBUGAPKCBEDP-UHNVWZDZSA-N
MW173.17 g/mol
LogP-0.48
Rot. Bonds3

About (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 11819494) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID11819494
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C7H11NO4/c9-6(10)2-4-1-5(7(11)12)8-3-4/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+/m1/s1
InChIKeyQNMBUGAPKCBEDP-UHNVWZDZSA-N
XLogP-0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid (CID 11819494) is (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid is O=C(O)C[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QNMBUGAPKCBEDP-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(10)2-4-1-5(7(11)12)8-3-4/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11819494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).