(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid

C11H14N2O4 — CID 107823734

IUPAC(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1cccnc1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-5-3-9(11(16)17)13-10(15)6-8-2-1-4-12-7-8/h1-2,4,7,9,14H,3,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyAHMTVSXFOPXJDN-SECBINFHSA-N
MW238.24 g/mol
LogP-0.42
Rot. Bonds6

About (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid (PubChem CID 107823734) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
PubChem CID107823734
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1cccnc1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-5-3-9(11(16)17)13-10(15)6-8-2-1-4-12-7-8/h1-2,4,7,9,14H,3,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyAHMTVSXFOPXJDN-SECBINFHSA-N
XLogP-0.42
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61229303
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
(2S)-4-hydroxy-2-[(3-oxo-4-phenylbutanoyl)amino]butanoic acid
CID 123752589
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
(2S)-4-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 114004802

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid (CID 107823734) is (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid is O=C(Cc1cccnc1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The InChIKey is AHMTVSXFOPXJDN-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-5-3-9(11(16)17)13-10(15)6-8-2-1-4-12-7-8/h1-2,4,7,9,14H,3,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 107823734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).