ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate

C9H18N2O2 — CID 20763729

IUPACethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate
SMILESCCOC(=O)C(N)C1CCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)8(10)7-4-5-11(2)6-7/h7-8H,3-6,10H2,1-2H3
InChIKeyDBSSCLPOHCPXGU-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds3

About ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate

ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate (PubChem CID 20763729) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate
PubChem CID20763729
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate
SMILESCCOC(=O)C(N)C1CCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)8(10)7-4-5-11(2)6-7/h7-8H,3-6,10H2,1-2H3
InChIKeyDBSSCLPOHCPXGU-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate (CID 20763729) is ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate is CCOC(=O)C(N)C1CCN(C)C1.
What is the InChIKey of ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate?
The InChIKey is DBSSCLPOHCPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)8(10)7-4-5-11(2)6-7/h7-8H,3-6,10H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate?
ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate has a molecular weight of 186.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(1-methylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 20763729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).