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

C11H14N2O4 — CID 43151207

IUPAC3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(14)10(11(16)17)13-9(15)6-8-4-2-3-5-12-8/h2-5,7,10,14H,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyJQCPPMWQFYCWEB-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.43
Rot. Bonds5

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

3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid (PubChem CID 43151207) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
PubChem CID43151207
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(14)10(11(16)17)13-9(15)6-8-4-2-3-5-12-8/h2-5,7,10,14H,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyJQCPPMWQFYCWEB-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

methyl 3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoate
CID 43623163
N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
CID 79246224
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43175926
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43353673
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
3-hydroxy-2-(4-phenoxybutanoylamino)butanoic acid
CID 43238749
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
3-hydroxy-2-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 43235600
CID 131857449
CID 131857449

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid (CID 43151207) is 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid is CC(O)C(NC(=O)Cc1ccccn1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid?
The InChIKey is JQCPPMWQFYCWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(14)10(11(16)17)13-9(15)6-8-4-2-3-5-12-8/h2-5,7,10,14H,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid?
3-hydroxy-2-[(2-pyridin-2-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-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 43151207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).