2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid

C8H16N2O3 — CID 78917580

IUPAC2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
SMILESC[C@@H](N)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(9)6(11)10(4)8(2,3)7(12)13/h5H,9H2,1-4H3,(H,12,13)/t5-/m1/s1
InChIKeyRRBQJSYVZLBRSX-RXMQYKEDSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds3

About 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid

2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 78917580) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
PubChem CID78917580
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
SMILESC[C@@H](N)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(9)6(11)10(4)8(2,3)7(12)13/h5H,9H2,1-4H3,(H,12,13)/t5-/m1/s1
InChIKeyRRBQJSYVZLBRSX-RXMQYKEDSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid (CID 78917580) is 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid is C[C@@H](N)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is RRBQJSYVZLBRSX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(9)6(11)10(4)8(2,3)7(12)13/h5H,9H2,1-4H3,(H,12,13)/t5-/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid?
2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 78917580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).