2-methylpropyl 2-(3-methylpentanoylamino)propanoate

C13H25NO3 — CID 22492175

IUPAC2-methylpropyl 2-(3-methylpentanoylamino)propanoate
SMILESCCC(C)CC(=O)NC(C)C(=O)OCC(C)C
InChIInChI=1S/C13H25NO3/c1-6-10(4)7-12(15)14-11(5)13(16)17-8-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyDNCGDDAAWAYVAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds7

About 2-methylpropyl 2-(3-methylpentanoylamino)propanoate

2-methylpropyl 2-(3-methylpentanoylamino)propanoate (PubChem CID 22492175) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methylpropyl 2-(3-methylpentanoylamino)propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(3-methylpentanoylamino)propanoate
PubChem CID22492175
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-methylpropyl 2-(3-methylpentanoylamino)propanoate
SMILESCCC(C)CC(=O)NC(C)C(=O)OCC(C)C
InChIInChI=1S/C13H25NO3/c1-6-10(4)7-12(15)14-11(5)13(16)17-8-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyDNCGDDAAWAYVAO-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(3-methylpentanoylamino)propanoate?
The IUPAC name of 2-methylpropyl 2-(3-methylpentanoylamino)propanoate (CID 22492175) is 2-methylpropyl 2-(3-methylpentanoylamino)propanoate.
What is the SMILES notation for 2-methylpropyl 2-(3-methylpentanoylamino)propanoate?
The canonical SMILES for 2-methylpropyl 2-(3-methylpentanoylamino)propanoate is CCC(C)CC(=O)NC(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(3-methylpentanoylamino)propanoate?
The InChIKey is DNCGDDAAWAYVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-10(4)7-12(15)14-11(5)13(16)17-8-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-methylpropyl 2-(3-methylpentanoylamino)propanoate?
2-methylpropyl 2-(3-methylpentanoylamino)propanoate has a molecular weight of 243.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(3-methylpentanoylamino)propanoate is sourced from PubChem (CID 22492175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).