2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid

C15H24N2O4 — CID 114945707

IUPAC2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
SMILESCC1(C)C2OCCCC2C1(N)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H24N2O4/c1-14(2)12-10(4-3-7-21-12)15(14,16)13(20)17(8-11(18)19)9-5-6-9/h9-10,12H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyNGPCKQDQMKGENM-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.59
Rot. Bonds4

About 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid

2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 114945707) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
PubChem CID114945707
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
SMILESCC1(C)C2OCCCC2C1(N)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H24N2O4/c1-14(2)12-10(4-3-7-21-12)15(14,16)13(20)17(8-11(18)19)9-5-6-9/h9-10,12H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyNGPCKQDQMKGENM-UHFFFAOYSA-N
XLogP0.59
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid (CID 114945707) is 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid is CC1(C)C2OCCCC2C1(N)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is NGPCKQDQMKGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2)12-10(4-3-7-21-12)15(14,16)13(20)17(8-11(18)19)9-5-6-9/h9-10,12H,3-8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid?
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 114945707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).