2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid

C15H22N2O2 — CID 170880165

IUPAC2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
SMILESCC(C)N1CCCc2cc(CC(N)C(=O)O)ccc21
InChIInChI=1S/C15H22N2O2/c1-10(2)17-7-3-4-12-8-11(5-6-14(12)17)9-13(16)15(18)19/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3,(H,18,19)
InChIKeyXMIPFZLUVVGRHF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid

2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid (PubChem CID 170880165) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
PubChem CID170880165
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
SMILESCC(C)N1CCCc2cc(CC(N)C(=O)O)ccc21
InChIInChI=1S/C15H22N2O2/c1-10(2)17-7-3-4-12-8-11(5-6-14(12)17)9-13(16)15(18)19/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3,(H,18,19)
InChIKeyXMIPFZLUVVGRHF-UHFFFAOYSA-N
XLogP1.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105876
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
ethyl 2-fluoro-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate
CID 54325239
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid (CID 170880165) is 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid is CC(C)N1CCCc2cc(CC(N)C(=O)O)ccc21.
What is the InChIKey of 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid?
The InChIKey is XMIPFZLUVVGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)17-7-3-4-12-8-11(5-6-14(12)17)9-13(16)15(18)19/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid?
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid is sourced from PubChem (CID 170880165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).