2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid

C13H12N2O4 — CID 116819580

IUPAC2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C13H12N2O4/c1-15(8-11(16)17)13(18)19-10-6-2-4-9-5-3-7-14-12(9)10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRJJBMPXMKAJPOZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.75
Rot. Bonds3

About 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid

2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid (PubChem CID 116819580) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
PubChem CID116819580
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C13H12N2O4/c1-15(8-11(16)17)13(18)19-10-6-2-4-9-5-3-7-14-12(9)10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRJJBMPXMKAJPOZ-UHFFFAOYSA-N
XLogP1.75
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
3-(quinolin-8-yloxycarbonylamino)propanoic acid
CID 116819716
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
CID 79622266
N-(3-aminopropyl)-N-methyl-3-quinolin-8-yloxypropanamide
CID 43254317
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
2-quinolin-8-yloxyacetate
CID 6950984

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid (CID 116819580) is 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)Oc1cccc2cccnc12.
What is the InChIKey of 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid?
The InChIKey is RJJBMPXMKAJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-15(8-11(16)17)13(18)19-10-6-2-4-9-5-3-7-14-12(9)10/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid?
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid is sourced from PubChem (CID 116819580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).