(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H15NO6 — CID 70609499

IUPAC(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H15NO6/c1-5(2-8(13)14)9(15)11-4-6(12)3-7(11)10(16)17/h5-7,12H,2-4H2,1H3,(H,13,14)(H,16,17)/t5?,6-,7+/m1/s1
InChIKeyWCUOERXNYZDCJW-FWPZAIACSA-N
MW245.23 g/mol
LogP-0.86
Rot. Bonds4

About (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 70609499) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID70609499
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H15NO6/c1-5(2-8(13)14)9(15)11-4-6(12)3-7(11)10(16)17/h5-7,12H,2-4H2,1H3,(H,13,14)(H,16,17)/t5?,6-,7+/m1/s1
InChIKeyWCUOERXNYZDCJW-FWPZAIACSA-N
XLogP-0.86
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 70609499) is (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is WCUOERXNYZDCJW-FWPZAIACSA-N. The full InChI is InChI=1S/C10H15NO6/c1-5(2-8(13)14)9(15)11-4-6(12)3-7(11)10(16)17/h5-7,12H,2-4H2,1H3,(H,13,14)(H,16,17)/t5?,6-,7+/m1/s1.
What are the key properties of (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70609499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).