2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid

C16H26N2O3 — CID 66468802

IUPAC2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC3CCCCC3N2)C1
InChIInChI=1S/C16H26N2O3/c19-15(20)9-11-7-8-18(10-11)16(21)14-6-5-12-3-1-2-4-13(12)17-14/h11-14,17H,1-10H2,(H,19,20)
InChIKeyBYIHWEBOCIBXBV-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.62
Rot. Bonds3

About 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 66468802) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID66468802
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC3CCCCC3N2)C1
InChIInChI=1S/C16H26N2O3/c19-15(20)9-11-7-8-18(10-11)16(21)14-6-5-12-3-1-2-4-13(12)17-14/h11-14,17H,1-10H2,(H,19,20)
InChIKeyBYIHWEBOCIBXBV-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid with MolForge

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 66469594
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
CID 66468992
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107217072
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(4-methylazepan-1-yl)methanone
CID 66468793
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119345006
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536748
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 81099407
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119326399
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid
CID 66470788
2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 119331793

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid (CID 66468802) is 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CCC3CCCCC3N2)C1.
What is the InChIKey of 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is BYIHWEBOCIBXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)9-11-7-8-18(10-11)16(21)14-6-5-12-3-1-2-4-13(12)17-14/h11-14,17H,1-10H2,(H,19,20).
What are the key properties of 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 294.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 66468802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).