(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid

C11H14N2O4 — CID 110837106

IUPAC(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCOc1cccnc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-8(11(15)16)13-10(14)4-6-17-9-3-2-5-12-7-9/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyNGSDUHOMCLYKAI-QMMMGPOBSA-N
MW238.24 g/mol
LogP0.44
Rot. Bonds6

About (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid

(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid (PubChem CID 110837106) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
PubChem CID110837106
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCOc1cccnc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-8(11(15)16)13-10(14)4-6-17-9-3-2-5-12-7-9/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyNGSDUHOMCLYKAI-QMMMGPOBSA-N
XLogP0.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(4-pyridin-3-yloxybutanoylamino)propanoic acid
CID 110486969
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid (CID 110837106) is (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid is C[C@H](NC(=O)CCOc1cccnc1)C(=O)O.
What is the InChIKey of (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
The InChIKey is NGSDUHOMCLYKAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(11(15)16)13-10(14)4-6-17-9-3-2-5-12-7-9/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid?
(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid is sourced from PubChem (CID 110837106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).