2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride

C8H14Cl2N2O3 — CID 70348749

IUPAC2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
SMILESCC(Nc1ccccn1)C(=O)O.Cl.Cl.O
InChIInChI=1S/C8H10N2O2.2ClH.H2O/c1-6(8(11)12)10-7-4-2-3-5-9-7;;;/h2-6H,1H3,(H,9,10)(H,11,12);2*1H;1H2
InChIKeyAGOSCACCMUQODZ-UHFFFAOYSA-N
MW257.12 g/mol
LogP0.99
Rot. Bonds3

About 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride

2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride (PubChem CID 70348749) has the molecular formula C8H14Cl2N2O3 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
PubChem CID70348749
Molecular FormulaC8H14Cl2N2O3
Molecular Weight257.12 g/mol
Exact Mass256.04
IUPAC Name2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
SMILESCC(Nc1ccccn1)C(=O)O.Cl.Cl.O
InChIInChI=1S/C8H10N2O2.2ClH.H2O/c1-6(8(11)12)10-7-4-2-3-5-9-7;;;/h2-6H,1H3,(H,9,10)(H,11,12);2*1H;1H2
InChIKeyAGOSCACCMUQODZ-UHFFFAOYSA-N
XLogP0.99
TPSA93.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
CID 174859044
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-methyl-3-(pyridin-2-ylamino)butanamide
CID 126986948
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2S)-2-[(4-phosphono-2-pyridinyl)amino]propanoic acid
CID 140897400
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
2-[(5-amino-2-pyridinyl)amino]propanoic acid
CID 117044543

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride?
The IUPAC name of 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride (CID 70348749) is 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride.
What is the SMILES notation for 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride?
The canonical SMILES for 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride is CC(Nc1ccccn1)C(=O)O.Cl.Cl.O.
What is the InChIKey of 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride?
The InChIKey is AGOSCACCMUQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH.H2O/c1-6(8(11)12)10-7-4-2-3-5-9-7;;;/h2-6H,1H3,(H,9,10)(H,11,12);2*1H;1H2.
What are the key properties of 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride?
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride has a molecular weight of 257.12 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride is sourced from PubChem (CID 70348749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).