3-(quinolin-8-yloxycarbonylamino)propanoic acid

C13H12N2O4 — CID 116819716

IUPAC3-(quinolin-8-yloxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Oc1cccc2cccnc12
InChIInChI=1S/C13H12N2O4/c16-11(17)6-8-15-13(18)19-10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7H,6,8H2,(H,15,18)(H,16,17)
InChIKeyIXMBRTLWIDDRSS-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.80
Rot. Bonds4

About 3-(quinolin-8-yloxycarbonylamino)propanoic acid

3-(quinolin-8-yloxycarbonylamino)propanoic acid (PubChem CID 116819716) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(quinolin-8-yloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(quinolin-8-yloxycarbonylamino)propanoic acid
PubChem CID116819716
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(quinolin-8-yloxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Oc1cccc2cccnc12
InChIInChI=1S/C13H12N2O4/c16-11(17)6-8-15-13(18)19-10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7H,6,8H2,(H,15,18)(H,16,17)
InChIKeyIXMBRTLWIDDRSS-UHFFFAOYSA-N
XLogP1.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(quinolin-8-yloxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
quinolin-8-yl 3-[oxo-[oxo-(3-oxo-3-quinolin-8-yloxypropyl)germyl]oxygermyl]propanoate
CID 11534805
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
CID 69033100
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-yloxycarbonylamino)propanoic acid?
The IUPAC name of 3-(quinolin-8-yloxycarbonylamino)propanoic acid (CID 116819716) is 3-(quinolin-8-yloxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(quinolin-8-yloxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(quinolin-8-yloxycarbonylamino)propanoic acid is O=C(O)CCNC(=O)Oc1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-yloxycarbonylamino)propanoic acid?
The InChIKey is IXMBRTLWIDDRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11(17)6-8-15-13(18)19-10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7H,6,8H2,(H,15,18)(H,16,17).
What are the key properties of 3-(quinolin-8-yloxycarbonylamino)propanoic acid?
3-(quinolin-8-yloxycarbonylamino)propanoic acid has a molecular weight of 260.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-yloxycarbonylamino)propanoic acid is sourced from PubChem (CID 116819716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).