(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid

C14H14N2O3 — CID 63968660

IUPAC(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1cccc2cccnc12
InChIInChI=1S/C14H14N2O3/c1-9(17)16-12(8-13(18)19)11-6-2-4-10-5-3-7-15-14(10)11/h2-7,12H,8H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyBYLQFEBFYYPUFL-GFCCVEGCSA-N
MW258.28 g/mol
LogP1.89
Rot. Bonds4

About (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid

(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid (PubChem CID 63968660) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
PubChem CID63968660
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1cccc2cccnc12
InChIInChI=1S/C14H14N2O3/c1-9(17)16-12(8-13(18)19)11-6-2-4-10-5-3-7-15-14(10)11/h2-7,12H,8H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyBYLQFEBFYYPUFL-GFCCVEGCSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
3-quinolin-8-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid
CID 170815844
(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
3-acetamido-3-quinolin-4-ylpropanoic acid
CID 63868077
(3S)-3-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504331
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid?
The IUPAC name of (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid (CID 63968660) is (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid.
What is the SMILES notation for (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid?
The canonical SMILES for (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid is CC(=O)N[C@H](CC(=O)O)c1cccc2cccnc12.
What is the InChIKey of (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid?
The InChIKey is BYLQFEBFYYPUFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)16-12(8-13(18)19)11-6-2-4-10-5-3-7-15-14(10)11/h2-7,12H,8H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid?
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-quinolin-8-ylpropanoic acid is sourced from PubChem (CID 63968660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).