propyl 3-(2-methylpropanoylamino)propanoate

C10H19NO3 — CID 91691842

IUPACpropyl 3-(2-methylpropanoylamino)propanoate
SMILESCCCOC(=O)CCNC(=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-4-7-14-9(12)5-6-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyYRGUXIFUHXGBAZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds6

About propyl 3-(2-methylpropanoylamino)propanoate

propyl 3-(2-methylpropanoylamino)propanoate (PubChem CID 91691842) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propyl 3-(2-methylpropanoylamino)propanoate.

Molecular Properties

Compound Namepropyl 3-(2-methylpropanoylamino)propanoate
PubChem CID91691842
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropyl 3-(2-methylpropanoylamino)propanoate
SMILESCCCOC(=O)CCNC(=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-4-7-14-9(12)5-6-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyYRGUXIFUHXGBAZ-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(2-methylpropanoylamino)propanoate?
The IUPAC name of propyl 3-(2-methylpropanoylamino)propanoate (CID 91691842) is propyl 3-(2-methylpropanoylamino)propanoate.
What is the SMILES notation for propyl 3-(2-methylpropanoylamino)propanoate?
The canonical SMILES for propyl 3-(2-methylpropanoylamino)propanoate is CCCOC(=O)CCNC(=O)C(C)C.
What is the InChIKey of propyl 3-(2-methylpropanoylamino)propanoate?
The InChIKey is YRGUXIFUHXGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7-14-9(12)5-6-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of propyl 3-(2-methylpropanoylamino)propanoate?
propyl 3-(2-methylpropanoylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2-methylpropanoylamino)propanoate is sourced from PubChem (CID 91691842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).