propan-2-yl 2-[methyl(propanoyl)amino]propanoate

C10H19NO3 — CID 134504961

IUPACpropan-2-yl 2-[methyl(propanoyl)amino]propanoate
SMILESCCC(=O)N(C)C(C)C(=O)OC(C)C
InChIInChI=1S/C10H19NO3/c1-6-9(12)11(5)8(4)10(13)14-7(2)3/h7-8H,6H2,1-5H3
InChIKeyPPSBDKKIOGKAQK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.19
Rot. Bonds4

About propan-2-yl 2-[methyl(propanoyl)amino]propanoate

propan-2-yl 2-[methyl(propanoyl)amino]propanoate (PubChem CID 134504961) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propan-2-yl 2-[methyl(propanoyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl(propanoyl)amino]propanoate
PubChem CID134504961
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropan-2-yl 2-[methyl(propanoyl)amino]propanoate
SMILESCCC(=O)N(C)C(C)C(=O)OC(C)C
InChIInChI=1S/C10H19NO3/c1-6-9(12)11(5)8(4)10(13)14-7(2)3/h7-8H,6H2,1-5H3
InChIKeyPPSBDKKIOGKAQK-UHFFFAOYSA-N
XLogP1.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
propan-2-yl 2-[methyl(propanoyl)amino]acetate
CID 59695660
[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
CID 174076582
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565
2-[methyl(propan-2-yloxycarbonyl)amino]propanoic acid
CID 62627138
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
N-methyl-N-(1-methylsulfonylethyl)propanamide
CID 173145957
N-[1-(ethylamino)ethyl]-N-methylpropanamide
CID 139891854
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
ethyl 2-[carbonochloridoyl(methyl)amino]propanoate
CID 134323297
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl(propanoyl)amino]propanoate?
The IUPAC name of propan-2-yl 2-[methyl(propanoyl)amino]propanoate (CID 134504961) is propan-2-yl 2-[methyl(propanoyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[methyl(propanoyl)amino]propanoate?
The canonical SMILES for propan-2-yl 2-[methyl(propanoyl)amino]propanoate is CCC(=O)N(C)C(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[methyl(propanoyl)amino]propanoate?
The InChIKey is PPSBDKKIOGKAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-9(12)11(5)8(4)10(13)14-7(2)3/h7-8H,6H2,1-5H3.
What are the key properties of propan-2-yl 2-[methyl(propanoyl)amino]propanoate?
propan-2-yl 2-[methyl(propanoyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl(propanoyl)amino]propanoate is sourced from PubChem (CID 134504961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).