3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid

C6H10N2O2 — CID 59751678

IUPAC3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid
SMILESCNC1C=C(C(=O)O)NC1
InChIInChI=1S/C6H10N2O2/c1-7-4-2-5(6(9)10)8-3-4/h2,4,7-8H,3H2,1H3,(H,9,10)
InChIKeyAODXQOUVINANNK-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.85
Rot. Bonds2

About 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid

3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid (PubChem CID 59751678) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid
PubChem CID59751678
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid
SMILESCNC1C=C(C(=O)O)NC1
InChIInChI=1S/C6H10N2O2/c1-7-4-2-5(6(9)10)8-3-4/h2,4,7-8H,3H2,1H3,(H,9,10)
InChIKeyAODXQOUVINANNK-UHFFFAOYSA-N
XLogP-0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The IUPAC name of 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid (CID 59751678) is 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The canonical SMILES for 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid is CNC1C=C(C(=O)O)NC1.
What is the InChIKey of 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The InChIKey is AODXQOUVINANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-4-2-5(6(9)10)8-3-4/h2,4,7-8H,3H2,1H3,(H,9,10).
What are the key properties of 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid?
3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2,3-dihydro-1H-pyrrole-5-carboxylic acid is sourced from PubChem (CID 59751678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).