3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid

C11H14N2O4 — CID 114289566

IUPAC3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
SMILESO=C(CCc1ccccn1)NC(CO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-7-9(11(16)17)13-10(15)5-4-8-3-1-2-6-12-8/h1-3,6,9,14H,4-5,7H2,(H,13,15)(H,16,17)
InChIKeyQLQOZSHLWQDEIA-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.42
Rot. Bonds6

About 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid

3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid (PubChem CID 114289566) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
PubChem CID114289566
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
SMILESO=C(CCc1ccccn1)NC(CO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-7-9(11(16)17)13-10(15)5-4-8-3-1-2-6-12-8/h1-3,6,9,14H,4-5,7H2,(H,13,15)(H,16,17)
InChIKeyQLQOZSHLWQDEIA-UHFFFAOYSA-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)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
CID 80750195
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
3-(4-tert-butylphenyl)-3-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613671
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 61152444
N-(1H-imidazol-2-yl)-3-pyridin-2-ylpropanamide
CID 78981098
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 97306373

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid (CID 114289566) is 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid is O=C(CCc1ccccn1)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The InChIKey is QLQOZSHLWQDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-7-9(11(16)17)13-10(15)5-4-8-3-1-2-6-12-8/h1-3,6,9,14H,4-5,7H2,(H,13,15)(H,16,17).
What are the key properties of 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic 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 3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 114289566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).