2-methylbutan-2-yl 3-acetamidopropanoate

C10H19NO3 — CID 134215822

IUPAC2-methylbutan-2-yl 3-acetamidopropanoate
SMILESCCC(C)(C)OC(=O)CCNC(C)=O
InChIInChI=1S/C10H19NO3/c1-5-10(3,4)14-9(13)6-7-11-8(2)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyIQTXAJPVPVBBPS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds5

About 2-methylbutan-2-yl 3-acetamidopropanoate

2-methylbutan-2-yl 3-acetamidopropanoate (PubChem CID 134215822) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methylbutan-2-yl 3-acetamidopropanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl 3-acetamidopropanoate
PubChem CID134215822
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methylbutan-2-yl 3-acetamidopropanoate
SMILESCCC(C)(C)OC(=O)CCNC(C)=O
InChIInChI=1S/C10H19NO3/c1-5-10(3,4)14-9(13)6-7-11-8(2)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyIQTXAJPVPVBBPS-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutan-2-yl 5-acetamido-5-oxopentanoate
CID 134215821
2-methylbutan-2-yl 4-(2-methylbutan-2-ylperoxy)-4-oxobutanoate
CID 139936835
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
3-methylpentan-3-yl 3-[[3-(3-methylpentan-3-yloxy)-3-oxopropyl]amino]propanoate
CID 88896052
tert-butyl 3-(2,2-difluorobutanoylamino)propanoate
CID 88588037
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
3-acetamidopropanoyl 3-aminopropanoate
CID 90764985
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 3-acetamidopropanoate?
The IUPAC name of 2-methylbutan-2-yl 3-acetamidopropanoate (CID 134215822) is 2-methylbutan-2-yl 3-acetamidopropanoate.
What is the SMILES notation for 2-methylbutan-2-yl 3-acetamidopropanoate?
The canonical SMILES for 2-methylbutan-2-yl 3-acetamidopropanoate is CCC(C)(C)OC(=O)CCNC(C)=O.
What is the InChIKey of 2-methylbutan-2-yl 3-acetamidopropanoate?
The InChIKey is IQTXAJPVPVBBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-10(3,4)14-9(13)6-7-11-8(2)12/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-methylbutan-2-yl 3-acetamidopropanoate?
2-methylbutan-2-yl 3-acetamidopropanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 3-acetamidopropanoate is sourced from PubChem (CID 134215822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).