2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate

C14H27NO4 — CID 91725907

IUPAC2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)N(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(2)8-18-12(16)11(3)15(7)13(17)19-9-14(4,5)6/h10-11H,8-9H2,1-7H3
InChIKeyPUHSXQVVBRMTGR-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.69
Rot. Bonds5

About 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate

2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate (PubChem CID 91725907) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
PubChem CID91725907
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)N(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(2)8-18-12(16)11(3)15(7)13(17)19-9-14(4,5)6/h10-11H,8-9H2,1-7H3
InChIKeyPUHSXQVVBRMTGR-UHFFFAOYSA-N
XLogP2.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylpentyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725908
hexadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725916
2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91734791
2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91723528
octadecyl 2-[methyl(2-methylpropoxycarbonyl)amino]propanoate
CID 91722858
2,2-dimethylpropyl 2-[[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoate
CID 91732870
4-methylpentyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91732925
(2S)-2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-fluoro-4-methylpentanoic acid
CID 163633184
2-methylpropyl 2-(2,2-dimethylpropoxycarbonylamino)-3-methylpentanoate
CID 91732912
bis(2-methylpropyl) 2,2,3-trimethylbutanedioate
CID 22639843
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
octadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91732937

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate?
The IUPAC name of 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate (CID 91725907) is 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate?
The canonical SMILES for 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate is CC(C)COC(=O)C(C)N(C)C(=O)OCC(C)(C)C.
What is the InChIKey of 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate?
The InChIKey is PUHSXQVVBRMTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-10(2)8-18-12(16)11(3)15(7)13(17)19-9-14(4,5)6/h10-11H,8-9H2,1-7H3.
What are the key properties of 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate?
2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate has a molecular weight of 273.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 91725907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).