methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate

C12H23NO3 — CID 114875753

IUPACmethyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
SMILESCCC(C)CC(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H23NO3/c1-6-10(4)7-11(14)13(9(2)3)8-12(15)16-5/h9-10H,6-8H2,1-5H3
InChIKeyFEGZBNQETVZALN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.83
Rot. Bonds6

About methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate

methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate (PubChem CID 114875753) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
PubChem CID114875753
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
SMILESCCC(C)CC(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H23NO3/c1-6-10(4)7-11(14)13(9(2)3)8-12(15)16-5/h9-10H,6-8H2,1-5H3
InChIKeyFEGZBNQETVZALN-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate 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 2-[3-methylpentanoyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate (CID 114875753) is methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate is CCC(C)CC(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate?
The InChIKey is FEGZBNQETVZALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-10(4)7-11(14)13(9(2)3)8-12(15)16-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate?
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 114875753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).