3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid

C11H14N2O4 — CID 55100610

IUPAC3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(14)10(11(16)17)13-9(15)5-8-3-2-4-12-6-8/h2-4,6-7,10,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyIXQKSXXTDGNOIX-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.43
Rot. Bonds5

About 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid

3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid (PubChem CID 55100610) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
PubChem CID55100610
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(14)10(11(16)17)13-9(15)5-8-3-2-4-12-6-8/h2-4,6-7,10,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyIXQKSXXTDGNOIX-UHFFFAOYSA-N
XLogP-0.43
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207
3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid
CID 22903368
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid (CID 55100610) is 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid is CC(O)C(NC(=O)Cc1cccnc1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The InChIKey is IXQKSXXTDGNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(14)10(11(16)17)13-9(15)5-8-3-2-4-12-6-8/h2-4,6-7,10,14H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 55100610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).