1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride

C7H13ClN2O3 — CID 71757800

IUPAC1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.NCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C7H12N2O3.ClH/c8-1-2-9-4-5(7(11)12)3-6(9)10;/h5H,1-4,8H2,(H,11,12);1H
InChIKeyNAKPVWQCVCYTKI-UHFFFAOYSA-N
MW208.64 g/mol
LogP-0.70
Rot. Bonds3

About 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride

1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 71757800) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID71757800
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.NCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C7H12N2O3.ClH/c8-1-2-9-4-5(7(11)12)3-6(9)10;/h5H,1-4,8H2,(H,11,12);1H
InChIKeyNAKPVWQCVCYTKI-UHFFFAOYSA-N
XLogP-0.70
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride (CID 71757800) is 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride is Cl.NCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is NAKPVWQCVCYTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.ClH/c8-1-2-9-4-5(7(11)12)3-6(9)10;/h5H,1-4,8H2,(H,11,12);1H.
What are the key properties of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71757800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).