4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid

C9H15N3O2 — CID 82398978

IUPAC4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(C)CCc1[nH]c(C(=O)O)cc1N
InChIInChI=1S/C9H15N3O2/c1-12(2)4-3-7-6(10)5-8(11-7)9(13)14/h5,11H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyXMLPUANDYVRJHJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.40
Rot. Bonds4

About 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid

4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 82398978) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid
PubChem CID82398978
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(C)CCc1[nH]c(C(=O)O)cc1N
InChIInChI=1S/C9H15N3O2/c1-12(2)4-3-7-6(10)5-8(11-7)9(13)14/h5,11H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyXMLPUANDYVRJHJ-UHFFFAOYSA-N
XLogP0.40
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid (CID 82398978) is 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid is CN(C)CCc1[nH]c(C(=O)O)cc1N.
What is the InChIKey of 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is XMLPUANDYVRJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12(2)4-3-7-6(10)5-8(11-7)9(13)14/h5,11H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid?
4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 197.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 82398978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).