2-aminoethyl pyrrolidine-2-carboxylate

C7H14N2O2 — CID 91476138

IUPAC2-aminoethyl pyrrolidine-2-carboxylate
SMILESNCCOC(=O)C1CCCN1
InChIInChI=1S/C7H14N2O2/c8-3-5-11-7(10)6-2-1-4-9-6/h6,9H,1-5,8H2
InChIKeyGHDJQUQKMDNCNY-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.76
Rot. Bonds3

About 2-aminoethyl pyrrolidine-2-carboxylate

2-aminoethyl pyrrolidine-2-carboxylate (PubChem CID 91476138) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-aminoethyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-aminoethyl pyrrolidine-2-carboxylate
PubChem CID91476138
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-aminoethyl pyrrolidine-2-carboxylate
SMILESNCCOC(=O)C1CCCN1
InChIInChI=1S/C7H14N2O2/c8-3-5-11-7(10)6-2-1-4-9-6/h6,9H,1-5,8H2
InChIKeyGHDJQUQKMDNCNY-UHFFFAOYSA-N
XLogP-0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl pyrrolidine-2-carboxylate?
The IUPAC name of 2-aminoethyl pyrrolidine-2-carboxylate (CID 91476138) is 2-aminoethyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-aminoethyl pyrrolidine-2-carboxylate?
The canonical SMILES for 2-aminoethyl pyrrolidine-2-carboxylate is NCCOC(=O)C1CCCN1.
What is the InChIKey of 2-aminoethyl pyrrolidine-2-carboxylate?
The InChIKey is GHDJQUQKMDNCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-3-5-11-7(10)6-2-1-4-9-6/h6,9H,1-5,8H2.
What are the key properties of 2-aminoethyl pyrrolidine-2-carboxylate?
2-aminoethyl pyrrolidine-2-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 91476138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).