methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate

C10H20N2O3 — CID 79024253

IUPACmethyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
SMILESCC[C@H](N)C(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-8(11)9(13)12(3)6-7(2)10(14)15-4/h7-8H,5-6,11H2,1-4H3/t7?,8-/m0/s1
InChIKeyZUWCGJIWNYDMSA-MQWKRIRWSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds5

About methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate

methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate (PubChem CID 79024253) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
PubChem CID79024253
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
SMILESCC[C@H](N)C(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-8(11)9(13)12(3)6-7(2)10(14)15-4/h7-8H,5-6,11H2,1-4H3/t7?,8-/m0/s1
InChIKeyZUWCGJIWNYDMSA-MQWKRIRWSA-N
XLogP-0.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate (CID 79024253) is methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate is CC[C@H](N)C(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
The InChIKey is ZUWCGJIWNYDMSA-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-8(11)9(13)12(3)6-7(2)10(14)15-4/h7-8H,5-6,11H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 79024253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).