(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid

C17H25NO2 — CID 125044341

IUPAC(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
SMILESCc1cc2c(cc1C)N([C@@H](C)C(=O)O)C(C)(C)C[C@H]2C
InChIInChI=1S/C17H25NO2/c1-10-7-14-12(3)9-17(5,6)18(13(4)16(19)20)15(14)8-11(10)2/h7-8,12-13H,9H2,1-6H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyBCORGBKIZUXZMR-OLZOCXBDSA-N
MW275.39 g/mol
LogP3.87
Rot. Bonds2

About (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid

(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid (PubChem CID 125044341) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
PubChem CID125044341
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
SMILESCc1cc2c(cc1C)N([C@@H](C)C(=O)O)C(C)(C)C[C@H]2C
InChIInChI=1S/C17H25NO2/c1-10-7-14-12(3)9-17(5,6)18(13(4)16(19)20)15(14)8-11(10)2/h7-8,12-13H,9H2,1-6H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyBCORGBKIZUXZMR-OLZOCXBDSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid with MolForge

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Related Compounds

(2R)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044340
(2S)-3-methyl-2-[(4S)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044601
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202967
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate
CID 125044510
(4R)-N-cyclohexyl-2,2,4,6,7-pentamethyl-3,4-dihydroquinoline-1-carboxamide
CID 6546924
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
CID 125047320
5-[2-(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl)ethynylsulfanyl]benzene-1,3-dicarboxylic acid
CID 59942886
(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044403
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid (CID 125044341) is (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid is Cc1cc2c(cc1C)N([C@@H](C)C(=O)O)C(C)(C)C[C@H]2C.
What is the InChIKey of (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid?
The InChIKey is BCORGBKIZUXZMR-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H25NO2/c1-10-7-14-12(3)9-17(5,6)18(13(4)16(19)20)15(14)8-11(10)2/h7-8,12-13H,9H2,1-6H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid?
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid is sourced from PubChem (CID 125044341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).