methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate

C13H21NO3 — CID 94183727

IUPACmethyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C13H21NO3/c1-8(2)6-9-11(13(9,3)4)12(16)14-7-10(15)17-5/h6,9,11H,7H2,1-5H3,(H,14,16)/t9-,11+/m1/s1
InChIKeyMLDFHXZLUMBIJF-KOLCDFICSA-N
MW239.31 g/mol
LogP1.51
Rot. Bonds4

About methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate

methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate (PubChem CID 94183727) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
PubChem CID94183727
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C13H21NO3/c1-8(2)6-9-11(13(9,3)4)12(16)14-7-10(15)17-5/h6,9,11H,7H2,1-5H3,(H,14,16)/t9-,11+/m1/s1
InChIKeyMLDFHXZLUMBIJF-KOLCDFICSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]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-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate (CID 94183727) is methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C.
What is the InChIKey of methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate?
The InChIKey is MLDFHXZLUMBIJF-KOLCDFICSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(2)6-9-11(13(9,3)4)12(16)14-7-10(15)17-5/h6,9,11H,7H2,1-5H3,(H,14,16)/t9-,11+/m1/s1.
What are the key properties of methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate?
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate has a molecular weight of 239.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate is sourced from PubChem (CID 94183727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).