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

C12H16N2O2 — CID 83837749

IUPAC2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
SMILESNC(Cc1cnc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C12H16N2O2/c13-10(12(15)16)6-8-5-9-3-1-2-4-11(9)14-7-8/h5,7,10H,1-4,6,13H2,(H,15,16)
InChIKeyFDDGSHXPCMDRKP-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.91
Rot. Bonds3

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

2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid (PubChem CID 83837749) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
PubChem CID83837749
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
SMILESNC(Cc1cnc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C12H16N2O2/c13-10(12(15)16)6-8-5-9-3-1-2-4-11(9)14-7-8/h5,7,10H,1-4,6,13H2,(H,15,16)
InChIKeyFDDGSHXPCMDRKP-UHFFFAOYSA-N
XLogP0.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 170110433
2-amino-3-(5-amino-3-pyridinyl)propanoic acid
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(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(5-sulfanyl-3-pyridinyl)propanoic acid
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CID 169025030

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid (CID 83837749) is 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid is NC(Cc1cnc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid?
The InChIKey is FDDGSHXPCMDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10(12(15)16)6-8-5-9-3-1-2-4-11(9)14-7-8/h5,7,10H,1-4,6,13H2,(H,15,16).
What are the key properties of 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid?
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid is sourced from PubChem (CID 83837749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).