2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid

C13H13N3O3 — CID 43669305

IUPAC2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C13H13N3O3/c1-16(7-11(17)18)12-8-4-2-3-5-10(8)15-6-9(12)13(14)19/h2-6H,7H2,1H3,(H2,14,19)(H,17,18)
InChIKeyDAIDTUWNNRWINP-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.85
Rot. Bonds4

About 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid

2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid (PubChem CID 43669305) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
PubChem CID43669305
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C13H13N3O3/c1-16(7-11(17)18)12-8-4-2-3-5-10(8)15-6-9(12)13(14)19/h2-6H,7H2,1H3,(H2,14,19)(H,17,18)
InChIKeyDAIDTUWNNRWINP-UHFFFAOYSA-N
XLogP0.85
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbothioamide
CID 62860117

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid (CID 43669305) is 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1c(C(N)=O)cnc2ccccc12.
What is the InChIKey of 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid?
The InChIKey is DAIDTUWNNRWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16(7-11(17)18)12-8-4-2-3-5-10(8)15-6-9(12)13(14)19/h2-6H,7H2,1H3,(H2,14,19)(H,17,18).
What are the key properties of 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid?
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid has a molecular weight of 259.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 43669305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).