2-(propanoylamino)-2-pyridin-3-ylacetic acid

C10H12N2O3 — CID 82077606

IUPAC2-(propanoylamino)-2-pyridin-3-ylacetic acid
SMILESCCC(=O)NC(C(=O)O)c1cccnc1
InChIInChI=1S/C10H12N2O3/c1-2-8(13)12-9(10(14)15)7-4-3-5-11-6-7/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyFYOQVXBGRMOBEO-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.73
Rot. Bonds4

About 2-(propanoylamino)-2-pyridin-3-ylacetic acid

2-(propanoylamino)-2-pyridin-3-ylacetic acid (PubChem CID 82077606) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(propanoylamino)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(propanoylamino)-2-pyridin-3-ylacetic acid
PubChem CID82077606
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(propanoylamino)-2-pyridin-3-ylacetic acid
SMILESCCC(=O)NC(C(=O)O)c1cccnc1
InChIInChI=1S/C10H12N2O3/c1-2-8(13)12-9(10(14)15)7-4-3-5-11-6-7/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyFYOQVXBGRMOBEO-UHFFFAOYSA-N
XLogP0.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
2-(3-bromophenyl)-2-(propanoylamino)acetic acid
CID 82094115
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid
CID 66189205

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(propanoylamino)-2-pyridin-3-ylacetic acid (CID 82077606) is 2-(propanoylamino)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(propanoylamino)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(propanoylamino)-2-pyridin-3-ylacetic acid is CCC(=O)NC(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(propanoylamino)-2-pyridin-3-ylacetic acid?
The InChIKey is FYOQVXBGRMOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-8(13)12-9(10(14)15)7-4-3-5-11-6-7/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(propanoylamino)-2-pyridin-3-ylacetic acid?
2-(propanoylamino)-2-pyridin-3-ylacetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 82077606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).