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

C15H26N2O4 — CID 103157085

IUPAC4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C1CCC2CCCCC2N1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-21-11(8-14(18)19)9-16-15(20)13-7-6-10-4-2-3-5-12(10)17-13/h10-13,17H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWDHKZQDQEUWNDB-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.90
Rot. Bonds6

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

4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid (PubChem CID 103157085) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
PubChem CID103157085
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C1CCC2CCCCC2N1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-21-11(8-14(18)19)9-16-15(20)13-7-6-10-4-2-3-5-12(10)17-13/h10-13,17H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWDHKZQDQEUWNDB-UHFFFAOYSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2,2-dimethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471192
3-[(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)methyl]pentanoic acid
CID 81065341
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471579
N-(2-hydroxy-4,4-dimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107152829
N-[1-oxo-1-(propylamino)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470781
N-(2-propan-2-yloxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 104761117
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
CID 66468796
3-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoic acid
CID 66471212
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66469205
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoate
CID 66470994

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid (CID 103157085) is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid is COC(CNC(=O)C1CCC2CCCCC2N1)CC(=O)O.
What is the InChIKey of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid?
The InChIKey is WDHKZQDQEUWNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-11(8-14(18)19)9-16-15(20)13-7-6-10-4-2-3-5-12(10)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)-3-methoxybutanoic acid?
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 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)-3-methoxybutanoic acid is sourced from PubChem (CID 103157085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).