4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid

C14H19NO2 — CID 129452228

IUPAC4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid
SMILESCc1ccc2c(c1)NC[C@H](CCCC(=O)O)C2
InChIInChI=1S/C14H19NO2/c1-10-5-6-12-8-11(3-2-4-14(16)17)9-15-13(12)7-10/h5-7,11,15H,2-4,8-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyVNBOLEPMUNZGIC-LLVKDONJSA-N
MW233.31 g/mol
LogP2.83
Rot. Bonds4

About 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid

4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid (PubChem CID 129452228) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid
PubChem CID129452228
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid
SMILESCc1ccc2c(c1)NC[C@H](CCCC(=O)O)C2
InChIInChI=1S/C14H19NO2/c1-10-5-6-12-8-11(3-2-4-14(16)17)9-15-13(12)7-10/h5-7,11,15H,2-4,8-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyVNBOLEPMUNZGIC-LLVKDONJSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoate
CID 129452531
7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 83753051
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid
CID 105460131
4-(5-methyl-3-oxo-1,2-dihydroinden-2-yl)butanoic acid
CID 13254244
3-[7-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinolin-3-yl]propanoic acid
CID 118163414
N,N-diethyl-7-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105473278
dodecanedioic acid;1,4-xylene
CID 66586315
ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 99866901
3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106777922
ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 58241445
7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 105463071
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid?
The IUPAC name of 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid (CID 129452228) is 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid.
What is the SMILES notation for 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid?
The canonical SMILES for 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid is Cc1ccc2c(c1)NC[C@H](CCCC(=O)O)C2.
What is the InChIKey of 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid?
The InChIKey is VNBOLEPMUNZGIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-6-12-8-11(3-2-4-14(16)17)9-15-13(12)7-10/h5-7,11,15H,2-4,8-9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid?
4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid is sourced from PubChem (CID 129452228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).