[2-(methylamino)acetyl] (2S)-2-methylbutanoate

C8H15NO3 — CID 175881617

IUPAC[2-(methylamino)acetyl] (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)OC(=O)CNC
InChIInChI=1S/C8H15NO3/c1-4-6(2)8(11)12-7(10)5-9-3/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyYABGLWNDLHSBKT-LURJTMIESA-N
MW173.21 g/mol
LogP0.32
Rot. Bonds4

About [2-(methylamino)acetyl] (2S)-2-methylbutanoate

[2-(methylamino)acetyl] (2S)-2-methylbutanoate (PubChem CID 175881617) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [2-(methylamino)acetyl] (2S)-2-methylbutanoate.

Molecular Properties

Compound Name[2-(methylamino)acetyl] (2S)-2-methylbutanoate
PubChem CID175881617
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[2-(methylamino)acetyl] (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)OC(=O)CNC
InChIInChI=1S/C8H15NO3/c1-4-6(2)8(11)12-7(10)5-9-3/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyYABGLWNDLHSBKT-LURJTMIESA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-(methylamino)acetyl] (2S)-2-methylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(methylamino)acetyl] (2S,3R)-2-amino-3-methylpentanoate
CID 142299481
3-methylbutanoyl 2-methylbutanoate
CID 87157626
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
bis[2-(methylamino)acetyl] (Z)-but-2-enedioate
CID 88841702
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
CID 134215870
pent-1-en-3-yl 2-(methylamino)acetate
CID 170207067
[2-(methylamino)acetyl] 13-methyltetradecanoate
CID 141099041
ethane;ethyl 2-methylbutanoate
CID 144747106
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)acetyl] (2S)-2-methylbutanoate?
The IUPAC name of [2-(methylamino)acetyl] (2S)-2-methylbutanoate (CID 175881617) is [2-(methylamino)acetyl] (2S)-2-methylbutanoate.
What is the SMILES notation for [2-(methylamino)acetyl] (2S)-2-methylbutanoate?
The canonical SMILES for [2-(methylamino)acetyl] (2S)-2-methylbutanoate is CC[C@H](C)C(=O)OC(=O)CNC.
What is the InChIKey of [2-(methylamino)acetyl] (2S)-2-methylbutanoate?
The InChIKey is YABGLWNDLHSBKT-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-6(2)8(11)12-7(10)5-9-3/h6,9H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of [2-(methylamino)acetyl] (2S)-2-methylbutanoate?
[2-(methylamino)acetyl] (2S)-2-methylbutanoate has a molecular weight of 173.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)acetyl] (2S)-2-methylbutanoate is sourced from PubChem (CID 175881617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).