1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid

C16H26N2O3 — CID 66470788

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C16H26N2O3/c19-15(18-10-4-3-7-14(18)16(20)21)13-9-8-11-5-1-2-6-12(11)17-13/h11-14,17H,1-10H2,(H,20,21)
InChIKeyFQRJSANGDRNWIA-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.76
Rot. Bonds2

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66470788) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID66470788
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C16H26N2O3/c19-15(18-10-4-3-7-14(18)16(20)21)13-9-8-11-5-1-2-6-12(11)17-13/h11-14,17H,1-10H2,(H,20,21)
InChIKeyFQRJSANGDRNWIA-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide
CID 66470363
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82903113
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 66469594
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258
5-cyclopentylpyrrolidine-2-carboxylic acid
CID 55295140

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid (CID 66470788) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1CCC2CCCCC2N1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is FQRJSANGDRNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(18-10-4-3-7-14(18)16(20)21)13-9-8-11-5-1-2-6-12(11)17-13/h11-14,17H,1-10H2,(H,20,21).
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66470788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).