methyl 2-(butan-2-ylamino)acetate

C7H15NO2 — CID 43177489

IUPACmethyl 2-(butan-2-ylamino)acetate
SMILESCCC(C)NCC(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-6(2)8-5-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyQEMXYWYERUMIEN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-(butan-2-ylamino)acetate

methyl 2-(butan-2-ylamino)acetate (PubChem CID 43177489) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-(butan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(butan-2-ylamino)acetate
PubChem CID43177489
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-(butan-2-ylamino)acetate
SMILESCCC(C)NCC(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-6(2)8-5-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyQEMXYWYERUMIEN-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(butan-2-ylamino)acetate?
The IUPAC name of methyl 2-(butan-2-ylamino)acetate (CID 43177489) is methyl 2-(butan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(butan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(butan-2-ylamino)acetate is CCC(C)NCC(=O)OC.
What is the InChIKey of methyl 2-(butan-2-ylamino)acetate?
The InChIKey is QEMXYWYERUMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6(2)8-5-7(9)10-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(butan-2-ylamino)acetate?
methyl 2-(butan-2-ylamino)acetate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butan-2-ylamino)acetate is sourced from PubChem (CID 43177489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).