(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid

C12H15NO2 — CID 42223767

IUPAC(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1CCCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(12(14)15)13-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyVLGXALUOFZHZQH-SECBINFHSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds2

About (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid

(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid (PubChem CID 42223767) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
PubChem CID42223767
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1CCCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(12(14)15)13-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyVLGXALUOFZHZQH-SECBINFHSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 84750442
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid (CID 42223767) is (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid is C[C@H](C(=O)O)N1CCCc2ccccc21.
What is the InChIKey of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The InChIKey is VLGXALUOFZHZQH-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(12(14)15)13-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid is sourced from PubChem (CID 42223767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).