4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid

C15H26N2O3 — CID 66468796

IUPAC4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H26N2O3/c1-10(6-9-14(18)19)16-15(20)13-8-7-11-4-2-3-5-12(11)17-13/h10-13,17H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyNNUQZDMPCFWRMD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds5

About 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid

4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid (PubChem CID 66468796) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
PubChem CID66468796
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H26N2O3/c1-10(6-9-14(18)19)16-15(20)13-8-7-11-4-2-3-5-12(11)17-13/h10-13,17H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyNNUQZDMPCFWRMD-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468991
N-(5-methylhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579335
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471579
N-[1-oxo-1-(propylamino)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470781
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106349918
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoate
CID 66470994
N-(2-propan-2-yloxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 104761117
3-[(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)methyl]pentanoic acid
CID 81065341
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870151
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870283
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
CID 103157085
3-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoic acid
CID 66471212

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid?
The IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid (CID 66468796) is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid?
The canonical SMILES for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid is CC(CCC(=O)O)NC(=O)C1CCC2CCCCC2N1.
What is the InChIKey of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid?
The InChIKey is NNUQZDMPCFWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(6-9-14(18)19)16-15(20)13-8-7-11-4-2-3-5-12(11)17-13/h10-13,17H,2-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid?
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 66468796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).