2-[(3-aminoquinolin-4-yl)amino]acetic acid

C11H11N3O2 — CID 103963211

IUPAC2-[(3-aminoquinolin-4-yl)amino]acetic acid
SMILESNc1cnc2ccccc2c1NCC(=O)O
InChIInChI=1S/C11H11N3O2/c12-8-5-13-9-4-2-1-3-7(9)11(8)14-6-10(15)16/h1-5H,6,12H2,(H,13,14)(H,15,16)
InChIKeyPEFQHHHITRWYQG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.31
Rot. Bonds3

About 2-[(3-aminoquinolin-4-yl)amino]acetic acid

2-[(3-aminoquinolin-4-yl)amino]acetic acid (PubChem CID 103963211) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-aminoquinolin-4-yl)amino]acetic acid
PubChem CID103963211
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[(3-aminoquinolin-4-yl)amino]acetic acid
SMILESNc1cnc2ccccc2c1NCC(=O)O
InChIInChI=1S/C11H11N3O2/c12-8-5-13-9-4-2-1-3-7(9)11(8)14-6-10(15)16/h1-5H,6,12H2,(H,13,14)(H,15,16)
InChIKeyPEFQHHHITRWYQG-UHFFFAOYSA-N
XLogP1.31
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
3-[(3-aminoquinolin-4-yl)amino]propyl-tert-butylcarbamic acid
CID 67052445
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]acetic acid (CID 103963211) is 2-[(3-aminoquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-aminoquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-aminoquinolin-4-yl)amino]acetic acid is Nc1cnc2ccccc2c1NCC(=O)O.
What is the InChIKey of 2-[(3-aminoquinolin-4-yl)amino]acetic acid?
The InChIKey is PEFQHHHITRWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-8-5-13-9-4-2-1-3-7(9)11(8)14-6-10(15)16/h1-5H,6,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-aminoquinolin-4-yl)amino]acetic acid?
2-[(3-aminoquinolin-4-yl)amino]acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 103963211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).