methyl 3-[methyl(3-methylbutanoyl)amino]propanoate

C10H19NO3 — CID 61028943

IUPACmethyl 3-[methyl(3-methylbutanoyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)7-9(12)11(3)6-5-10(13)14-4/h8H,5-7H2,1-4H3
InChIKeyAWTIADPYUALFOI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds5

About methyl 3-[methyl(3-methylbutanoyl)amino]propanoate

methyl 3-[methyl(3-methylbutanoyl)amino]propanoate (PubChem CID 61028943) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[methyl(3-methylbutanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(3-methylbutanoyl)amino]propanoate
PubChem CID61028943
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[methyl(3-methylbutanoyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)7-9(12)11(3)6-5-10(13)14-4/h8H,5-7H2,1-4H3
InChIKeyAWTIADPYUALFOI-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346
methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
CID 62590846
methyl 3-[decanoyl(methyl)amino]propanoate
CID 54979768
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
N-ethyl-N,3-dimethylbutanamide
CID 18505916
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
N-methoxy-N,3-dimethylbutanamide
CID 10975620
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]propanoate
CID 54997524
methyl 3-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-methylamino]propanoate
CID 54980303
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(3-methylbutanoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(3-methylbutanoyl)amino]propanoate (CID 61028943) is methyl 3-[methyl(3-methylbutanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(3-methylbutanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(3-methylbutanoyl)amino]propanoate is COC(=O)CCN(C)C(=O)CC(C)C.
What is the InChIKey of methyl 3-[methyl(3-methylbutanoyl)amino]propanoate?
The InChIKey is AWTIADPYUALFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)7-9(12)11(3)6-5-10(13)14-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[methyl(3-methylbutanoyl)amino]propanoate?
methyl 3-[methyl(3-methylbutanoyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(3-methylbutanoyl)amino]propanoate is sourced from PubChem (CID 61028943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).