1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid

C15H24N2O4 — CID 114945682

IUPAC1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C)C2OCCC2C1(N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-14(2)11-10(5-7-21-11)15(14,16)13(20)17-6-3-4-9(8-17)12(18)19/h9-11H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyVFNNCDHXUWOIMW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.45
Rot. Bonds2

About 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid

1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 114945682) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
PubChem CID114945682
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C)C2OCCC2C1(N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-14(2)11-10(5-7-21-11)15(14,16)13(20)17-6-3-4-9(8-17)12(18)19/h9-11H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyVFNNCDHXUWOIMW-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid with MolForge

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Related Compounds

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 114946599
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114946309
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114946149
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 114946596
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114945905
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 114945932
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774567
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid (CID 114945682) is 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid is CC1(C)C2OCCC2C1(N)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VFNNCDHXUWOIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2)11-10(5-7-21-11)15(14,16)13(20)17-6-3-4-9(8-17)12(18)19/h9-11H,3-8,16H2,1-2H3,(H,18,19).
What are the key properties of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid?
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114945682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).