[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate

C10H19NO3 — CID 137320952

IUPAC[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
SMILESCCC(C)(C)NC(=O)C(C)OC(C)=O
InChIInChI=1S/C10H19NO3/c1-6-10(4,5)11-9(13)7(2)14-8(3)12/h7H,6H2,1-5H3,(H,11,13)
InChIKeyPVQNWNXPQUAFSG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds4

About [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate

[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate (PubChem CID 137320952) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
PubChem CID137320952
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
SMILESCCC(C)(C)NC(=O)C(C)OC(C)=O
InChIInChI=1S/C10H19NO3/c1-6-10(4,5)11-9(13)7(2)14-8(3)12/h7H,6H2,1-5H3,(H,11,13)
InChIKeyPVQNWNXPQUAFSG-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7406844
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321456
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate
CID 60720823
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate
CID 59722273
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
CID 114450539

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate (CID 137320952) is [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate is CCC(C)(C)NC(=O)C(C)OC(C)=O.
What is the InChIKey of [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate?
The InChIKey is PVQNWNXPQUAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-10(4,5)11-9(13)7(2)14-8(3)12/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate?
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 137320952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).