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

C15H24N2O4 — CID 114946149

IUPAC1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H24N2O4/c1-13(2)10-9(5-8-21-10)15(13,16)11(18)17-7-4-6-14(17,3)12(19)20/h9-10H,4-8,16H2,1-3H3,(H,19,20)
InChIKeyUJEMVTDTJYQGRV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.59
Rot. Bonds2

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

1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 114946149) 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)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID114946149
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)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H24N2O4/c1-13(2)10-9(5-8-21-10)15(13,16)11(18)17-7-4-6-14(17,3)12(19)20/h9-10H,4-8,16H2,1-3H3,(H,19,20)
InChIKeyUJEMVTDTJYQGRV-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(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)-(2-methylpiperidin-1-yl)methanone
CID 114945016
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103356035
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
(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
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774567
4-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperazine-2,6-dione
CID 114946291
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114947024
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 114946599

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 114946149) is 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is UJEMVTDTJYQGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-13(2)10-9(5-8-21-10)15(13,16)11(18)17-7-4-6-14(17,3)12(19)20/h9-10H,4-8,16H2,1-3H3,(H,19,20).
What are the key properties of 1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.59, 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)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114946149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).