2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride

C12H14Cl2N2O3 — CID 154727412

IUPAC2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1ccc(O)c2ncccc12)C(=O)O
InChIInChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)6-7-3-4-10(15)11-8(7)2-1-5-14-11;;/h1-5,9,15H,6,13H2,(H,16,17);2*1H
InChIKeySBPUWEPIAMQXCH-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride

2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride (PubChem CID 154727412) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
PubChem CID154727412
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1ccc(O)c2ncccc12)C(=O)O
InChIInChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)6-7-3-4-10(15)11-8(7)2-1-5-14-11;;/h1-5,9,15H,6,13H2,(H,16,17);2*1H
InChIKeySBPUWEPIAMQXCH-UHFFFAOYSA-N
XLogP1.74
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(8-bromo-7-fluoroquinolin-5-yl)propanoic acid;dihydrochloride
CID 146566758
2-amino-3-(4-hydroxy-1,3-benzothiazol-7-yl)propanoic acid
CID 23253802
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 71515448
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
3-[(8-hydroxyquinolin-5-yl)methylsulfanyl]-2-(prop-2-ynylamino)propanoic acid
CID 58730239
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride (CID 154727412) is 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride is Cl.Cl.NC(Cc1ccc(O)c2ncccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride?
The InChIKey is SBPUWEPIAMQXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)6-7-3-4-10(15)11-8(7)2-1-5-14-11;;/h1-5,9,15H,6,13H2,(H,16,17);2*1H.
What are the key properties of 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride?
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride has a molecular weight of 305.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride is sourced from PubChem (CID 154727412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).