2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid

C11H20N2O3 — CID 62819366

IUPAC2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)C(C)(N)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-10(2,9(15)16)13(4)8(14)11(3,12)7-5-6-7/h7H,5-6,12H2,1-4H3,(H,15,16)
InChIKeyBRGJOIOALJEBGX-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds4

About 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid

2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62819366) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
PubChem CID62819366
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)C(C)(N)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-10(2,9(15)16)13(4)8(14)11(3,12)7-5-6-7/h7H,5-6,12H2,1-4H3,(H,15,16)
InChIKeyBRGJOIOALJEBGX-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid (CID 62819366) is 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)C(C)(N)C1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is BRGJOIOALJEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,9(15)16)13(4)8(14)11(3,12)7-5-6-7/h7H,5-6,12H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid?
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).