methyl 2-(butanoylamino)acetate

C7H13NO3 — CID 4777936

IUPACmethyl 2-(butanoylamino)acetate
SMILESCCCC(=O)NCC(=O)OC
InChIInChI=1S/C7H13NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyZNLZIFQCWQWBDV-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.08
Rot. Bonds4

About methyl 2-(butanoylamino)acetate

methyl 2-(butanoylamino)acetate (PubChem CID 4777936) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 2-(butanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(butanoylamino)acetate
PubChem CID4777936
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-(butanoylamino)acetate
SMILESCCCC(=O)NCC(=O)OC
InChIInChI=1S/C7H13NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyZNLZIFQCWQWBDV-UHFFFAOYSA-N
XLogP0.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyrylglycine
CID 88412
Propionylglycine
CID 98681
Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
Methyl (propionylamino)acetate
CID 533879
Methyl N-isovalerylglycine
CID 533941
Isobutyrylglycine, methyl ester
CID 4467317
(S)-Methyl 2-acetamidopropanoate
CID 6951030
Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
CID 4197155
Methyl 2-(hexanoylamino)acetate
CID 338209
N-butyl oxamate
CID 25767881
N-Acetylnorvaline methyl ester
CID 150916

Frequently Asked Questions

What is the IUPAC name of methyl 2-(butanoylamino)acetate?
The IUPAC name of methyl 2-(butanoylamino)acetate (CID 4777936) is methyl 2-(butanoylamino)acetate.
What is the SMILES notation for methyl 2-(butanoylamino)acetate?
The canonical SMILES for methyl 2-(butanoylamino)acetate is CCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(butanoylamino)acetate?
The InChIKey is ZNLZIFQCWQWBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of methyl 2-(butanoylamino)acetate?
methyl 2-(butanoylamino)acetate has a molecular weight of 159.18 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butanoylamino)acetate is sourced from PubChem (CID 4777936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).