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

C13H22N2O4 — CID 104985262

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

(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid (PubChem CID 104985262) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
• PubChem CID: 104985262
• Molecular Formula: C13H22N2O4
• Molecular Weight: 270.33 g/mol
• Exact Mass: 270.16
• IUPAC Name: (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
• SMILES: CC[C@@H](NC(=O)C1(N)C2CCOC2C1(C)C)C(=O)O
• InChI: InChI=1S/C13H22N2O4/c1-4-8(10(16)17)15-11(18)13(14)7-5-6-19-9(7)12(13,2)3/h7-9H,4-6,14H2,1-3H3,(H,15,18)(H,16,17)/t7?,8-,9?,13?/m1/s1
• InChIKey: YYIKPWQFIPACRV-QKEGVGCZSA-N
• XLogP: 0.11
• TPSA: 101.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.33
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid?

The IUPAC name of (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid (CID 104985262) is (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid.

What is the SMILES notation for (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid?

The canonical SMILES for (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid is CC[C@@H](NC(=O)C1(N)C2CCOC2C1(C)C)C(=O)O.

What is the InChIKey of (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid?

The InChIKey is YYIKPWQFIPACRV-QKEGVGCZSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-8(10(16)17)15-11(18)13(14)7-5-6-19-9(7)12(13,2)3/h7-9H,4-6,14H2,1-3H3,(H,15,18)(H,16,17)/t7?,8-,9?,13?/m1/s1.

What are the key properties of (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid?

(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104985262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).