2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid

C16H22N2O3 — CID 79814554

IUPAC2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-3-16(4-2,15(20)21)18-14(19)12-7-8-13-11(10-12)6-5-9-17-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXFZKZDFSXQGZAJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.42
Rot. Bonds5

About 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid

2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid (PubChem CID 79814554) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
PubChem CID79814554
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-3-16(4-2,15(20)21)18-14(19)12-7-8-13-11(10-12)6-5-9-17-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXFZKZDFSXQGZAJ-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 107852754
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid (CID 79814554) is 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid is CCC(CC)(NC(=O)c1ccc2c(c1)CCCN2)C(=O)O.
What is the InChIKey of 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The InChIKey is XFZKZDFSXQGZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-16(4-2,15(20)21)18-14(19)12-7-8-13-11(10-12)6-5-9-17-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 79814554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).