(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid

C15H16N2O3 — CID 119943149

IUPAC(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10(15(19)20)17-14(18)7-6-11-8-9-16-13-5-3-2-4-12(11)13/h2-5,8-10H,6-7H2,1H3,(H,17,18)(H,19,20)/t10-/m0/s1
InChIKeyVSPNSNGICMOAQG-JTQLQIEISA-N
MW272.30 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid

(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid (PubChem CID 119943149) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
PubChem CID119943149
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10(15(19)20)17-14(18)7-6-11-8-9-16-13-5-3-2-4-12(11)13/h2-5,8-10H,6-7H2,1H3,(H,17,18)(H,19,20)/t10-/m0/s1
InChIKeyVSPNSNGICMOAQG-JTQLQIEISA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
3-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119351290
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
4-[[(2S)-1-amino-1-oxo-3-quinolin-4-ylpropan-2-yl]amino]-4-oxobutanoic acid
CID 170256566
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
3-quinolin-4-ylpropan-1-ol
CID 21218471
2-methyl-3-(quinolin-4-ylmethylsulfinyl)propanoic acid
CID 79240694

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid (CID 119943149) is (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid is C[C@H](NC(=O)CCc1ccnc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid?
The InChIKey is VSPNSNGICMOAQG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(15(19)20)17-14(18)7-6-11-8-9-16-13-5-3-2-4-12(11)13/h2-5,8-10H,6-7H2,1H3,(H,17,18)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid?
(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 119943149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).