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

C11H14N2O3 — CID 81454532

IUPAC(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
SMILESC[C@@H](NC(=O)CCc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16)13-10(14)6-5-9-4-2-3-7-12-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyJHTCINUUUGOASK-MRVPVSSYSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds5

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

(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid (PubChem CID 81454532) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
PubChem CID81454532
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
SMILESC[C@@H](NC(=O)CCc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16)13-10(14)6-5-9-4-2-3-7-12-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyJHTCINUUUGOASK-MRVPVSSYSA-N
XLogP0.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119943149
N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 97306373
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
3-(4-tert-butylphenyl)-3-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613671
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid (CID 81454532) is (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid is C[C@@H](NC(=O)CCc1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
The InChIKey is JHTCINUUUGOASK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(11(15)16)13-10(14)6-5-9-4-2-3-7-12-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid?
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 81454532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).