2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid

C17H24N2O3 — CID 82257819

IUPAC2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
SMILESCCCC(NC(C)C(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-3-5-15(17(21)22)19-11(2)16(20)13-7-8-14-12(10-13)6-4-9-18-14/h7-8,10-11,15,18-19H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyJKEWNSHFHYJRKK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.46
Rot. Bonds7

About 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid

2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid (PubChem CID 82257819) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
PubChem CID82257819
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
SMILESCCCC(NC(C)C(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-3-5-15(17(21)22)19-11(2)16(20)13-7-8-14-12(10-13)6-4-9-18-14/h7-8,10-11,15,18-19H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyJKEWNSHFHYJRKK-UHFFFAOYSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
CID 82257846
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
4-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]butanoic acid
CID 82257813
2-[[1-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]amino]butanoic acid
CID 82100355
pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 102982650
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106116805
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid (CID 82257819) is 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid is CCCC(NC(C)C(=O)c1ccc2c(c1)CCCN2)C(=O)O.
What is the InChIKey of 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid?
The InChIKey is JKEWNSHFHYJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-5-15(17(21)22)19-11(2)16(20)13-7-8-14-12(10-13)6-4-9-18-14/h7-8,10-11,15,18-19H,3-6,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid?
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 82257819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).