methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate

C12H23NO4 — CID 103021738

IUPACmethyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)C(C)(C)OC)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-7-8-12(4,10(15)16-5)13-9(14)11(2,3)17-6/h7-8H2,1-6H3,(H,13,14)
InChIKeyQDAQKYAYXAUCKN-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate

methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate (PubChem CID 103021738) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
PubChem CID103021738
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)C(C)(C)OC)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-7-8-12(4,10(15)16-5)13-9(14)11(2,3)17-6/h7-8H2,1-6H3,(H,13,14)
InChIKeyQDAQKYAYXAUCKN-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 103018984
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
CID 78851528
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
CID 113463047
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate (CID 103021738) is methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)C(C)(C)OC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate?
The InChIKey is QDAQKYAYXAUCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-7-8-12(4,10(15)16-5)13-9(14)11(2,3)17-6/h7-8H2,1-6H3,(H,13,14).
What are the key properties of methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate?
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate has a molecular weight of 245.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate is sourced from PubChem (CID 103021738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).