(2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid

C10H17NO4 — CID 6604700

IUPAC(2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O
InChIInChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9+/m1/s1
InChIKeyJQPDCKOQOOQUSC-FJXKBIBVSA-N
MW215.25 g/mol
LogP0.41
Rot. Bonds4

About (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid

(2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 6604700) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID6604700
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O
InChIInChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9+/m1/s1
InChIKeyJQPDCKOQOOQUSC-FJXKBIBVSA-N
XLogP0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid (CID 6604700) is (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O.
What is the InChIKey of (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is JQPDCKOQOOQUSC-FJXKBIBVSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9+/m1/s1.
What are the key properties of (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
(2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6604700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).