ethyl 2-(2-hydroxypropan-2-ylamino)acetate

C7H15NO3 — CID 57315041

IUPACethyl 2-(2-hydroxypropan-2-ylamino)acetate
SMILESCCOC(=O)CNC(C)(C)O
InChIInChI=1S/C7H15NO3/c1-4-11-6(9)5-8-7(2,3)10/h8,10H,4-5H2,1-3H3
InChIKeyVOXNIWOUOWHHNX-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.13
Rot. Bonds4

About ethyl 2-(2-hydroxypropan-2-ylamino)acetate

ethyl 2-(2-hydroxypropan-2-ylamino)acetate (PubChem CID 57315041) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl 2-(2-hydroxypropan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxypropan-2-ylamino)acetate
PubChem CID57315041
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl 2-(2-hydroxypropan-2-ylamino)acetate
SMILESCCOC(=O)CNC(C)(C)O
InChIInChI=1S/C7H15NO3/c1-4-11-6(9)5-8-7(2,3)10/h8,10H,4-5H2,1-3H3
InChIKeyVOXNIWOUOWHHNX-UHFFFAOYSA-N
XLogP-0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxypropan-2-ylamino)acetate?
The IUPAC name of ethyl 2-(2-hydroxypropan-2-ylamino)acetate (CID 57315041) is ethyl 2-(2-hydroxypropan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxypropan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(2-hydroxypropan-2-ylamino)acetate is CCOC(=O)CNC(C)(C)O.
What is the InChIKey of ethyl 2-(2-hydroxypropan-2-ylamino)acetate?
The InChIKey is VOXNIWOUOWHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-6(9)5-8-7(2,3)10/h8,10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxypropan-2-ylamino)acetate?
ethyl 2-(2-hydroxypropan-2-ylamino)acetate has a molecular weight of 161.20 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxypropan-2-ylamino)acetate is sourced from PubChem (CID 57315041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).