(1-amino-2-methyl-1-oxobutan-2-yl) acetate

C7H13NO3 — CID 87348306

IUPAC(1-amino-2-methyl-1-oxobutan-2-yl) acetate
SMILESCCC(C)(OC(C)=O)C(N)=O
InChIInChI=1S/C7H13NO3/c1-4-7(3,6(8)10)11-5(2)9/h4H2,1-3H3,(H2,8,10)
InChIKeyNZEYQDZZCCZJIY-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.20
Rot. Bonds3

About (1-amino-2-methyl-1-oxobutan-2-yl) acetate

(1-amino-2-methyl-1-oxobutan-2-yl) acetate (PubChem CID 87348306) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (1-amino-2-methyl-1-oxobutan-2-yl) acetate.

Molecular Properties

Compound Name(1-amino-2-methyl-1-oxobutan-2-yl) acetate
PubChem CID87348306
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(1-amino-2-methyl-1-oxobutan-2-yl) acetate
SMILESCCC(C)(OC(C)=O)C(N)=O
InChIInChI=1S/C7H13NO3/c1-4-7(3,6(8)10)11-5(2)9/h4H2,1-3H3,(H2,8,10)
InChIKeyNZEYQDZZCCZJIY-UHFFFAOYSA-N
XLogP0.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-4,4,5,5-tetramethylhexan-3-yl) acetate
CID 143331495
azane;tert-butyl acetate;guanidine
CID 174950483
2-hexoxy-2-methylbutanamide
CID 175435377
(3-amino-2,3-dimethylbutan-2-yl) acetate
CID 163657238
2-[(E)-2-acetyloxybutan-2-yldiazenyl]butan-2-yl acetate
CID 6436690
1,1-diaminoethyl acetate
CID 87732493
diethyl 2-acetyloxy-2-methylpropanedioate
CID 14271792
(1-chloro-2-methylbutan-2-yl) acetate
CID 23269035
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
tert-butyl acetate
CID 159704758
(1-amino-2-methyl-1-oxohexan-2-yl) 2-methylprop-2-enoate
CID 174478502
ethyl 2,2-diacetyloxy-3,3-dimethylbutanoate
CID 175506846

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methyl-1-oxobutan-2-yl) acetate?
The IUPAC name of (1-amino-2-methyl-1-oxobutan-2-yl) acetate (CID 87348306) is (1-amino-2-methyl-1-oxobutan-2-yl) acetate.
What is the SMILES notation for (1-amino-2-methyl-1-oxobutan-2-yl) acetate?
The canonical SMILES for (1-amino-2-methyl-1-oxobutan-2-yl) acetate is CCC(C)(OC(C)=O)C(N)=O.
What is the InChIKey of (1-amino-2-methyl-1-oxobutan-2-yl) acetate?
The InChIKey is NZEYQDZZCCZJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-7(3,6(8)10)11-5(2)9/h4H2,1-3H3,(H2,8,10).
What are the key properties of (1-amino-2-methyl-1-oxobutan-2-yl) acetate?
(1-amino-2-methyl-1-oxobutan-2-yl) acetate has a molecular weight of 159.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methyl-1-oxobutan-2-yl) acetate is sourced from PubChem (CID 87348306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).