3-(3-quinolin-4-ylpropanoylamino)propanoic acid

C15H16N2O3 — CID 119351290

IUPAC3-(3-quinolin-4-ylpropanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCc1ccnc2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14(17-10-8-15(19)20)6-5-11-7-9-16-13-4-2-1-3-12(11)13/h1-4,7,9H,5-6,8,10H2,(H,17,18)(H,19,20)
InChIKeyZBNNWIWCBPTESR-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.76
Rot. Bonds6

About 3-(3-quinolin-4-ylpropanoylamino)propanoic acid

3-(3-quinolin-4-ylpropanoylamino)propanoic acid (PubChem CID 119351290) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(3-quinolin-4-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-quinolin-4-ylpropanoylamino)propanoic acid
PubChem CID119351290
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(3-quinolin-4-ylpropanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCc1ccnc2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14(17-10-8-15(19)20)6-5-11-7-9-16-13-4-2-1-3-12(11)13/h1-4,7,9H,5-6,8,10H2,(H,17,18)(H,19,20)
InChIKeyZBNNWIWCBPTESR-UHFFFAOYSA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119943149
3-quinolin-5-ylpropanoic acid
CID 81224223
3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 79235628
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
4-[[(2S)-1-amino-1-oxo-3-quinolin-4-ylpropan-2-yl]amino]-4-oxobutanoic acid
CID 170256566
7-[4-(quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
4-[amino(quinolin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 174299546
N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
CID 71862995
4-(3-methylidenepent-4-enyl)quinoline
CID 87131912
2-(2-quinolin-4-ylethyl)benzohydrazide
CID 70948892
3-quinolin-4-ylpropan-1-ol
CID 21218471

Frequently Asked Questions

What is the IUPAC name of 3-(3-quinolin-4-ylpropanoylamino)propanoic acid?
The IUPAC name of 3-(3-quinolin-4-ylpropanoylamino)propanoic acid (CID 119351290) is 3-(3-quinolin-4-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-(3-quinolin-4-ylpropanoylamino)propanoic acid?
The canonical SMILES for 3-(3-quinolin-4-ylpropanoylamino)propanoic acid is O=C(O)CCNC(=O)CCc1ccnc2ccccc12.
What is the InChIKey of 3-(3-quinolin-4-ylpropanoylamino)propanoic acid?
The InChIKey is ZBNNWIWCBPTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(17-10-8-15(19)20)6-5-11-7-9-16-13-4-2-1-3-12(11)13/h1-4,7,9H,5-6,8,10H2,(H,17,18)(H,19,20).
What are the key properties of 3-(3-quinolin-4-ylpropanoylamino)propanoic acid?
3-(3-quinolin-4-ylpropanoylamino)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-quinolin-4-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 119351290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).