2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate

C12H23NO3 — CID 166736659

IUPAC2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate
SMILESCC(=O)CCNC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)8-16-11(15)12(4,5)13-7-6-10(3)14/h9,13H,6-8H2,1-5H3
InChIKeyMEVZZWRKOCDPJA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.53
Rot. Bonds7

About 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate

2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate (PubChem CID 166736659) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate
PubChem CID166736659
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate
SMILESCC(=O)CCNC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)8-16-11(15)12(4,5)13-7-6-10(3)14/h9,13H,6-8H2,1-5H3
InChIKeyMEVZZWRKOCDPJA-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate?
The IUPAC name of 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate (CID 166736659) is 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate.
What is the SMILES notation for 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate?
The canonical SMILES for 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate is CC(=O)CCNC(C)(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate?
The InChIKey is MEVZZWRKOCDPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)8-16-11(15)12(4,5)13-7-6-10(3)14/h9,13H,6-8H2,1-5H3.
What are the key properties of 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate?
2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate is sourced from PubChem (CID 166736659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).