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

C10H20N2O3 — CID 79811094

IUPAC2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C(C)(N)CC
InChIInChI=1S/C10H20N2O3/c1-5-7(8(13)14)12(4)9(15)10(3,11)6-2/h7H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyRTSSYYLLBLBTNN-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.44
Rot. Bonds5

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

2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid (PubChem CID 79811094) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid
PubChem CID79811094
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C(C)(N)CC
InChIInChI=1S/C10H20N2O3/c1-5-7(8(13)14)12(4)9(15)10(3,11)6-2/h7H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyRTSSYYLLBLBTNN-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
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-methylbutanoyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid (CID 79811094) is 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)C(C)(N)CC.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid?
The InChIKey is RTSSYYLLBLBTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-7(8(13)14)12(4)9(15)10(3,11)6-2/h7H,5-6,11H2,1-4H3,(H,13,14).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid?
2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.44, 5 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]butanoic acid is sourced from PubChem (CID 79811094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).