3-(pyridin-2-ylamino)propanoic acid

C8H10N2O2 — CID 11983472

IUPAC3-(pyridin-2-ylamino)propanoic acid
SMILESO=C(O)CCNc1ccccn1
InChIInChI=1S/C8H10N2O2/c11-8(12)4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,9,10)(H,11,12)
InChIKeyIDWUSJOEYZAKSW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.97
Rot. Bonds4

About 3-(pyridin-2-ylamino)propanoic acid

3-(pyridin-2-ylamino)propanoic acid (PubChem CID 11983472) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(pyridin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(pyridin-2-ylamino)propanoic acid
PubChem CID11983472
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(pyridin-2-ylamino)propanoic acid
SMILESO=C(O)CCNc1ccccn1
InChIInChI=1S/C8H10N2O2/c11-8(12)4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,9,10)(H,11,12)
InChIKeyIDWUSJOEYZAKSW-UHFFFAOYSA-N
XLogP0.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylamino)propanoic acid?
The IUPAC name of 3-(pyridin-2-ylamino)propanoic acid (CID 11983472) is 3-(pyridin-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(pyridin-2-ylamino)propanoic acid?
The canonical SMILES for 3-(pyridin-2-ylamino)propanoic acid is O=C(O)CCNc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylamino)propanoic acid?
The InChIKey is IDWUSJOEYZAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,9,10)(H,11,12).
What are the key properties of 3-(pyridin-2-ylamino)propanoic acid?
3-(pyridin-2-ylamino)propanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylamino)propanoic acid is sourced from PubChem (CID 11983472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).