2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid

C11H14N2O2 — CID 83833341

IUPAC2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C11H14N2O2/c12-10(11(14)15)8-5-7-3-1-2-4-9(7)13-6-8/h5-6,10H,1-4,12H2,(H,14,15)
InChIKeyLCPQYMJVWVNVIY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.04
Rot. Bonds2

About 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid

2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid (PubChem CID 83833341) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
PubChem CID83833341
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C11H14N2O2/c12-10(11(14)15)8-5-7-3-1-2-4-9(7)13-6-8/h5-6,10H,1-4,12H2,(H,14,15)
InChIKeyLCPQYMJVWVNVIY-UHFFFAOYSA-N
XLogP1.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749
(1R)-1-(5,6,7,8-tetrahydroquinolin-3-yl)ethanol
CID 124706347
methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate
CID 140536483
(1R)-2-methyl-1-(5,6,7,8-tetrahydroquinolin-3-yl)propan-1-ol
CID 124843658
propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 168959227
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 84712529
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 166956382
6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 10630532
3-bromo-5,6,7,8-tetrahydroquinoline
CID 53485154
methyl 4-cyclohexyl-3-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate
CID 58230492

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid (CID 83833341) is 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid is NC(C(=O)O)c1cnc2c(c1)CCCC2.
What is the InChIKey of 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid?
The InChIKey is LCPQYMJVWVNVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10(11(14)15)8-5-7-3-1-2-4-9(7)13-6-8/h5-6,10H,1-4,12H2,(H,14,15).
What are the key properties of 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid?
2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid has a molecular weight of 206.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid is sourced from PubChem (CID 83833341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).