2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C16H26N2O3 — CID 62695624

IUPAC2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCC(=O)N1CCCC2CCCCC21)C1CC1
InChIInChI=1S/C16H26N2O3/c19-14(10-17-15(16(20)21)12-7-8-12)18-9-3-5-11-4-1-2-6-13(11)18/h11-13,15,17H,1-10H2,(H,20,21)
InChIKeyOSEVDIOLQZTWQB-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.62
Rot. Bonds5

About 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62695624) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62695624
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCC(=O)N1CCCC2CCCCC21)C1CC1
InChIInChI=1S/C16H26N2O3/c19-14(10-17-15(16(20)21)12-7-8-12)18-9-3-5-11-4-1-2-6-13(11)18/h11-13,15,17H,1-10H2,(H,20,21)
InChIKeyOSEVDIOLQZTWQB-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid with MolForge

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Related Compounds

(2S)-2-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]amino]pentanoic acid
CID 124670441
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(2-cyclobutylpyrrolidin-1-yl)-2-(cyclopropylmethylamino)ethanone
CID 119765732
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1-(2-cyclopentylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
CID 62831470
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]ethanone
CID 97080390
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914525
1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
CID 62837080
1-(2-cyclohexylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60946958
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107841410
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(ethylamino)ethanone
CID 81489176

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62695624) is 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid is O=C(O)C(NCC(=O)N1CCCC2CCCCC21)C1CC1.
What is the InChIKey of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is OSEVDIOLQZTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(10-17-15(16(20)21)12-7-8-12)18-9-3-5-11-4-1-2-6-13(11)18/h11-13,15,17H,1-10H2,(H,20,21).
What are the key properties of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 294.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).