2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid

C9H18N2O3 — CID 79811331

IUPAC2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid
SMILESCCC(C)(N)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5-9(3,10)8(14)11(4)6(2)7(12)13/h6H,5,10H2,1-4H3,(H,12,13)
InChIKeyDZLJHLRIFFNURM-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds4

About 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid

2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid (PubChem CID 79811331) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid
PubChem CID79811331
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid
SMILESCCC(C)(N)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5-9(3,10)8(14)11(4)6(2)7(12)13/h6H,5,10H2,1-4H3,(H,12,13)
InChIKeyDZLJHLRIFFNURM-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.05
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-methylbutanoyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid (CID 79811331) is 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid is CCC(C)(N)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid?
The InChIKey is DZLJHLRIFFNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-9(3,10)8(14)11(4)6(2)7(12)13/h6H,5,10H2,1-4H3,(H,12,13).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid?
2-[(2-amino-2-methylbutanoyl)-methylamino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.05, 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-methylbutanoyl)-methylamino]propanoic acid is sourced from PubChem (CID 79811331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).