methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate

C12H23NO3 — CID 62679600

IUPACmethyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(C)(C)CC
InChIInChI=1S/C12H23NO3/c1-6-8-13(9-10(14)16-5)11(15)12(3,4)7-2/h6-9H2,1-5H3
InChIKeyBGNCIOGGMMPYDB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.83
Rot. Bonds6

About methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate

methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate (PubChem CID 62679600) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
PubChem CID62679600
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(C)(C)CC
InChIInChI=1S/C12H23NO3/c1-6-8-13(9-10(14)16-5)11(15)12(3,4)7-2/h6-9H2,1-5H3
InChIKeyBGNCIOGGMMPYDB-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

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Related Compounds

methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate
CID 63665289
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
CID 83199461
methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 65173620
methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113230187
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
CID 65160300
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
CID 54871877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate (CID 62679600) is methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)C(C)(C)CC.
What is the InChIKey of methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate?
The InChIKey is BGNCIOGGMMPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-8-13(9-10(14)16-5)11(15)12(3,4)7-2/h6-9H2,1-5H3.
What are the key properties of methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate?
methyl 2-[2,2-dimethylbutanoyl(propyl)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-[2,2-dimethylbutanoyl(propyl)amino]acetate is sourced from PubChem (CID 62679600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).