2-aminoethyl 2-(propan-2-ylideneamino)acetate

C7H14N2O2 — CID 161042319

IUPAC2-aminoethyl 2-(propan-2-ylideneamino)acetate
SMILESCC(C)=NCC(=O)OCCN
InChIInChI=1S/C7H14N2O2/c1-6(2)9-5-7(10)11-4-3-8/h3-5,8H2,1-2H3
InChIKeyUBASWRCTIRWKTO-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.03
Rot. Bonds4

About 2-aminoethyl 2-(propan-2-ylideneamino)acetate

2-aminoethyl 2-(propan-2-ylideneamino)acetate (PubChem CID 161042319) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-aminoethyl 2-(propan-2-ylideneamino)acetate.

Molecular Properties

Compound Name2-aminoethyl 2-(propan-2-ylideneamino)acetate
PubChem CID161042319
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-aminoethyl 2-(propan-2-ylideneamino)acetate
SMILESCC(C)=NCC(=O)OCCN
InChIInChI=1S/C7H14N2O2/c1-6(2)9-5-7(10)11-4-3-8/h3-5,8H2,1-2H3
InChIKeyUBASWRCTIRWKTO-UHFFFAOYSA-N
XLogP-0.03
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-(propan-2-ylideneamino)acetate?
The IUPAC name of 2-aminoethyl 2-(propan-2-ylideneamino)acetate (CID 161042319) is 2-aminoethyl 2-(propan-2-ylideneamino)acetate.
What is the SMILES notation for 2-aminoethyl 2-(propan-2-ylideneamino)acetate?
The canonical SMILES for 2-aminoethyl 2-(propan-2-ylideneamino)acetate is CC(C)=NCC(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2-(propan-2-ylideneamino)acetate?
The InChIKey is UBASWRCTIRWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(2)9-5-7(10)11-4-3-8/h3-5,8H2,1-2H3.
What are the key properties of 2-aminoethyl 2-(propan-2-ylideneamino)acetate?
2-aminoethyl 2-(propan-2-ylideneamino)acetate has a molecular weight of 158.20 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-(propan-2-ylideneamino)acetate is sourced from PubChem (CID 161042319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).