5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid

C9H14N2O2 — CID 83876057

IUPAC5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(C(=O)O)[nH]c1CC(C)N
InChIInChI=1S/C9H14N2O2/c1-5-3-8(9(12)13)11-7(5)4-6(2)10/h3,6,11H,4,10H2,1-2H3,(H,12,13)
InChIKeyCIRLVDZTLORVSQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.91
Rot. Bonds3

About 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid

5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 83876057) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID83876057
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(C(=O)O)[nH]c1CC(C)N
InChIInChI=1S/C9H14N2O2/c1-5-3-8(9(12)13)11-7(5)4-6(2)10/h3,6,11H,4,10H2,1-2H3,(H,12,13)
InChIKeyCIRLVDZTLORVSQ-UHFFFAOYSA-N
XLogP0.91
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid (CID 83876057) is 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid is Cc1cc(C(=O)O)[nH]c1CC(C)N.
What is the InChIKey of 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is CIRLVDZTLORVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-3-8(9(12)13)11-7(5)4-6(2)10/h3,6,11H,4,10H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 83876057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).