2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid

C14H22N2O4 — CID 114945708

IUPAC2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid
SMILESCC1(C)C2OCCC2C1(N)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H22N2O4/c1-13(2)11-9(5-6-20-11)14(13,15)12(19)16(7-10(17)18)8-3-4-8/h8-9,11H,3-7,15H2,1-2H3,(H,17,18)
InChIKeyGCFOYRPROCJAJH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.20
Rot. Bonds4

About 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid

2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 114945708) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid
PubChem CID114945708
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid
SMILESCC1(C)C2OCCC2C1(N)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H22N2O4/c1-13(2)11-9(5-6-20-11)14(13,15)12(19)16(7-10(17)18)8-3-4-8/h8-9,11H,3-7,15H2,1-2H3,(H,17,18)
InChIKeyGCFOYRPROCJAJH-UHFFFAOYSA-N
XLogP0.20
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid with MolForge

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Related Compounds

2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
CID 114945707
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-N-(cyclopropylmethyl)-N-ethyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946101
6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945095
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-prop-2-enylamino]acetic acid
CID 114946331
4-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 114945668
6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945161
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 114945979
6-amino-N-ethyl-N-(2-ethylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945446
6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106915296

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid (CID 114945708) is 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid is CC1(C)C2OCCC2C1(N)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is GCFOYRPROCJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2)11-9(5-6-20-11)14(13,15)12(19)16(7-10(17)18)8-3-4-8/h8-9,11H,3-7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid?
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 114945708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).