(3R)-3-quinolin-3-yloxybutanoic acid

C13H13NO3 — CID 107386787

IUPAC(3R)-3-quinolin-3-yloxybutanoic acid
SMILESC[C@H](CC(=O)O)Oc1cnc2ccccc2c1
InChIInChI=1S/C13H13NO3/c1-9(6-13(15)16)17-11-7-10-4-2-3-5-12(10)14-8-11/h2-5,7-9H,6H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyZMHSHRJETWHNON-SECBINFHSA-N
MW231.25 g/mol
LogP2.48
Rot. Bonds4

About (3R)-3-quinolin-3-yloxybutanoic acid

(3R)-3-quinolin-3-yloxybutanoic acid (PubChem CID 107386787) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3R)-3-quinolin-3-yloxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-quinolin-3-yloxybutanoic acid
PubChem CID107386787
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(3R)-3-quinolin-3-yloxybutanoic acid
SMILESC[C@H](CC(=O)O)Oc1cnc2ccccc2c1
InChIInChI=1S/C13H13NO3/c1-9(6-13(15)16)17-11-7-10-4-2-3-5-12(10)14-8-11/h2-5,7-9H,6H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyZMHSHRJETWHNON-SECBINFHSA-N
XLogP2.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-quinolin-3-yloxypropan-1-amine
CID 107387828
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
N-methyl-4-quinolin-3-yloxypentan-1-amine
CID 107387882
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
2-quinolin-3-yloxypropanenitrile
CID 107388161
2-chloro-3-quinolin-3-yloxypropanoic acid
CID 107387997
3-(quinolin-3-ylmethylsulfanyl)butanoic acid
CID 114203431
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881
methyl 2-quinolin-3-yloxyhexanoate
CID 107386801
2-quinolin-3-yloxybutan-1-amine
CID 107386996
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylpropanoic acid
CID 59681968
N-(2-hydroxypropyl)-2-quinolin-3-yloxyacetamide
CID 110487992

Frequently Asked Questions

What is the IUPAC name of (3R)-3-quinolin-3-yloxybutanoic acid?
The IUPAC name of (3R)-3-quinolin-3-yloxybutanoic acid (CID 107386787) is (3R)-3-quinolin-3-yloxybutanoic acid.
What is the SMILES notation for (3R)-3-quinolin-3-yloxybutanoic acid?
The canonical SMILES for (3R)-3-quinolin-3-yloxybutanoic acid is C[C@H](CC(=O)O)Oc1cnc2ccccc2c1.
What is the InChIKey of (3R)-3-quinolin-3-yloxybutanoic acid?
The InChIKey is ZMHSHRJETWHNON-SECBINFHSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(6-13(15)16)17-11-7-10-4-2-3-5-12(10)14-8-11/h2-5,7-9H,6H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-3-quinolin-3-yloxybutanoic acid?
(3R)-3-quinolin-3-yloxybutanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-quinolin-3-yloxybutanoic acid is sourced from PubChem (CID 107386787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).