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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Related Compounds

5-(2-aminoethyl)-4-methyl-1H-pyrrole-2-carboxylic acid
CID 83873741
5-[4-amino-5-(2-sulfanylethyl)-1H-pyrrol-2-yl]-5-oxopentanoic acid
CID 57027435
4-amino-5-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 82413397
4-[2-(dimethylamino)ethyl]-3,5-dinitrobenzoic acid
CID 15142602
4-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylic acid
CID 66955018
5-amino-6-ethyl-1H-indole-2-carboxylic acid
CID 82396653
5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
CID 114409789
4-(dimethylamino)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
CID 83872022
methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 139061373
ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 143267178
4-amino-3-[2-(dimethylamino)ethylsulfanyl]benzoic acid
CID 82787063
4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid
CID 82397927

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).