2-(isoquinolin-5-ylamino)propanoic acid

C12H12N2O2 — CID 66172493

IUPAC2-(isoquinolin-5-ylamino)propanoic acid
SMILESCC(Nc1cccc2cnccc12)C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)14-11-4-2-3-9-7-13-6-5-10(9)11/h2-8,14H,1H3,(H,15,16)
InChIKeyZSAGJXMQPOWSFY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.12
Rot. Bonds3

About 2-(isoquinolin-5-ylamino)propanoic acid

2-(isoquinolin-5-ylamino)propanoic acid (PubChem CID 66172493) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(isoquinolin-5-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(isoquinolin-5-ylamino)propanoic acid
PubChem CID66172493
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(isoquinolin-5-ylamino)propanoic acid
SMILESCC(Nc1cccc2cnccc12)C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)14-11-4-2-3-9-7-13-6-5-10(9)11/h2-8,14H,1H3,(H,15,16)
InChIKeyZSAGJXMQPOWSFY-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
2-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 61204115
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516
(2S)-3-hydroxy-2-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61204121
(2E)-2-(isoquinolin-5-ylhydrazinylidene)propanoic acid
CID 13266426
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265

Frequently Asked Questions

What is the IUPAC name of 2-(isoquinolin-5-ylamino)propanoic acid?
The IUPAC name of 2-(isoquinolin-5-ylamino)propanoic acid (CID 66172493) is 2-(isoquinolin-5-ylamino)propanoic acid.
What is the SMILES notation for 2-(isoquinolin-5-ylamino)propanoic acid?
The canonical SMILES for 2-(isoquinolin-5-ylamino)propanoic acid is CC(Nc1cccc2cnccc12)C(=O)O.
What is the InChIKey of 2-(isoquinolin-5-ylamino)propanoic acid?
The InChIKey is ZSAGJXMQPOWSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(12(15)16)14-11-4-2-3-9-7-13-6-5-10(9)11/h2-8,14H,1H3,(H,15,16).
What are the key properties of 2-(isoquinolin-5-ylamino)propanoic acid?
2-(isoquinolin-5-ylamino)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isoquinolin-5-ylamino)propanoic acid is sourced from PubChem (CID 66172493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).