(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid

C9H15NO2 — CID 131188669

IUPAC(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid
SMILESCC(C)C[C@]1(C(=O)O)C=CCN1
InChIInChI=1S/C9H15NO2/c1-7(2)6-9(8(11)12)4-3-5-10-9/h3-4,7,10H,5-6H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyYHXVCVBKOONWKX-VIFPVBQESA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds3

About (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid

(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid (PubChem CID 131188669) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid
PubChem CID131188669
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid
SMILESCC(C)C[C@]1(C(=O)O)C=CCN1
InChIInChI=1S/C9H15NO2/c1-7(2)6-9(8(11)12)4-3-5-10-9/h3-4,7,10H,5-6H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyYHXVCVBKOONWKX-VIFPVBQESA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid?
The IUPAC name of (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid (CID 131188669) is (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid.
What is the SMILES notation for (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid?
The canonical SMILES for (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid is CC(C)C[C@]1(C(=O)O)C=CCN1.
What is the InChIKey of (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid?
The InChIKey is YHXVCVBKOONWKX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)6-9(8(11)12)4-3-5-10-9/h3-4,7,10H,5-6H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid?
(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid is sourced from PubChem (CID 131188669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).