methyl 2-(propan-2-ylamino)acetate

C6H13NO2 — CID 18786985

IUPACmethyl 2-(propan-2-ylamino)acetate
SMILESCOC(=O)CNC(C)C
InChIInChI=1S/C6H13NO2/c1-5(2)7-4-6(8)9-3/h5,7H,4H2,1-3H3
InChIKeyJFDSZJZAEPWYJL-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds3

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

methyl 2-(propan-2-ylamino)acetate (PubChem CID 18786985) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl 2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(propan-2-ylamino)acetate
PubChem CID18786985
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl 2-(propan-2-ylamino)acetate
SMILESCOC(=O)CNC(C)C
InChIInChI=1S/C6H13NO2/c1-5(2)7-4-6(8)9-3/h5,7H,4H2,1-3H3
InChIKeyJFDSZJZAEPWYJL-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(propan-2-ylamino)acetate (CID 18786985) is methyl 2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(propan-2-ylamino)acetate is COC(=O)CNC(C)C.
What is the InChIKey of methyl 2-(propan-2-ylamino)acetate?
The InChIKey is JFDSZJZAEPWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)7-4-6(8)9-3/h5,7H,4H2,1-3H3.
What are the key properties of methyl 2-(propan-2-ylamino)acetate?
methyl 2-(propan-2-ylamino)acetate has a molecular weight of 131.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-ylamino)acetate is sourced from PubChem (CID 18786985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).