2-amino-2-(3-methylisoquinolin-7-yl)acetic acid

C12H12N2O2 — CID 117308063

IUPAC2-amino-2-(3-methylisoquinolin-7-yl)acetic acid
SMILESCc1cc2ccc(C(N)C(=O)O)cc2cn1
InChIInChI=1S/C12H12N2O2/c1-7-4-8-2-3-9(11(13)12(15)16)5-10(8)6-14-7/h2-6,11H,13H2,1H3,(H,15,16)
InChIKeyZZNIIROPXCDPQC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.63
Rot. Bonds2

About 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid

2-amino-2-(3-methylisoquinolin-7-yl)acetic acid (PubChem CID 117308063) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-methylisoquinolin-7-yl)acetic acid
PubChem CID117308063
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-amino-2-(3-methylisoquinolin-7-yl)acetic acid
SMILESCc1cc2ccc(C(N)C(=O)O)cc2cn1
InChIInChI=1S/C12H12N2O2/c1-7-4-8-2-3-9(11(13)12(15)16)5-10(8)6-14-7/h2-6,11H,13H2,1H3,(H,15,16)
InChIKeyZZNIIROPXCDPQC-UHFFFAOYSA-N
XLogP1.63
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(3-methylisoquinolin-7-yl)propanoic acid
CID 117391433
2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol
CID 117308336
2-amino-2-(4-propan-2-ylisoquinolin-7-yl)acetic acid
CID 117362583
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
2-amino-2-isoquinolin-3-ylacetic acid
CID 84776704
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
1-(3-methylisoquinolin-7-yl)propan-2-ol
CID 117290221

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid (CID 117308063) is 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid is Cc1cc2ccc(C(N)C(=O)O)cc2cn1.
What is the InChIKey of 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid?
The InChIKey is ZZNIIROPXCDPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-4-8-2-3-9(11(13)12(15)16)5-10(8)6-14-7/h2-6,11H,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid?
2-amino-2-(3-methylisoquinolin-7-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methylisoquinolin-7-yl)acetic acid is sourced from PubChem (CID 117308063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).