3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid

C10H17NO5 — CID 53463725

IUPAC3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(O)C1CNC(C(=O)O)C1CC(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,16)6-4-11-8(9(14)15)5(6)3-7(12)13/h5-6,8,11,16H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZGEUBGPBYKPRFI-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.48
Rot. Bonds4

About 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid

3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 53463725) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID53463725
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(O)C1CNC(C(=O)O)C1CC(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,16)6-4-11-8(9(14)15)5(6)3-7(12)13/h5-6,8,11,16H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZGEUBGPBYKPRFI-UHFFFAOYSA-N
XLogP-0.48
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid (CID 53463725) is 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid is CC(C)(O)C1CNC(C(=O)O)C1CC(=O)O.
What is the InChIKey of 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZGEUBGPBYKPRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,16)6-4-11-8(9(14)15)5(6)3-7(12)13/h5-6,8,11,16H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 53463725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).