3-acetamido-3-quinolin-4-ylpropanoic acid

C14H14N2O3 — CID 63868077

IUPAC3-acetamido-3-quinolin-4-ylpropanoic acid
SMILESCC(=O)NC(CC(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C14H14N2O3/c1-9(17)16-13(8-14(18)19)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIRWXDLRBBGUNDC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.89
Rot. Bonds4

About 3-acetamido-3-quinolin-4-ylpropanoic acid

3-acetamido-3-quinolin-4-ylpropanoic acid (PubChem CID 63868077) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-acetamido-3-quinolin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-acetamido-3-quinolin-4-ylpropanoic acid
PubChem CID63868077
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-acetamido-3-quinolin-4-ylpropanoic acid
SMILESCC(=O)NC(CC(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C14H14N2O3/c1-9(17)16-13(8-14(18)19)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIRWXDLRBBGUNDC-UHFFFAOYSA-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

N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide
CID 162412946
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
3-quinolin-4-ylpentan-2-one
CID 63196425
(3S)-3-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504331
2-quinolin-4-ylpropanoic acid
CID 127018626
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660
S-(2,3-dihydroxy-3-quinolin-4-ylpropyl) ethanethioate
CID 170822161
methyl 3-[2,5-dihydroxy-4-(3-methoxy-3-oxo-1-quinolin-4-ylpropyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-quinolin-4-ylpropanoate
CID 102564510
(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-quinolin-4-ylpropanoic acid?
The IUPAC name of 3-acetamido-3-quinolin-4-ylpropanoic acid (CID 63868077) is 3-acetamido-3-quinolin-4-ylpropanoic acid.
What is the SMILES notation for 3-acetamido-3-quinolin-4-ylpropanoic acid?
The canonical SMILES for 3-acetamido-3-quinolin-4-ylpropanoic acid is CC(=O)NC(CC(=O)O)c1ccnc2ccccc12.
What is the InChIKey of 3-acetamido-3-quinolin-4-ylpropanoic acid?
The InChIKey is IRWXDLRBBGUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)16-13(8-14(18)19)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-acetamido-3-quinolin-4-ylpropanoic acid?
3-acetamido-3-quinolin-4-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 3-acetamido-3-quinolin-4-ylpropanoic acid is sourced from PubChem (CID 63868077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).