formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride

C6H11ClN2O4 — CID 175132511

IUPACformamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.NC=O.O=C(O)[C@@H]1CCNC1=O
InChIInChI=1S/C5H7NO3.CH3NO.ClH/c7-4-3(5(8)9)1-2-6-4;2-1-3;/h3H,1-2H2,(H,6,7)(H,8,9);1H,(H2,2,3);1H/t3-;;/m1../s1
InChIKeyRWZPSDHZOKWOHK-HWYNEVGZSA-N
MW210.62 g/mol
LogP-1.27
Rot. Bonds1

About formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride

formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 175132511) has the molecular formula C6H11ClN2O4 and a molecular weight of 210.62 g/mol. Its IUPAC name is formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nameformamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID175132511
Molecular FormulaC6H11ClN2O4
Molecular Weight210.62 g/mol
Exact Mass210.04
IUPAC Nameformamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.NC=O.O=C(O)[C@@H]1CCNC1=O
InChIInChI=1S/C5H7NO3.CH3NO.ClH/c7-4-3(5(8)9)1-2-6-4;2-1-3;/h3H,1-2H2,(H,6,7)(H,8,9);1H,(H2,2,3);1H/t3-;;/m1../s1
InChIKeyRWZPSDHZOKWOHK-HWYNEVGZSA-N
XLogP-1.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride (CID 175132511) is formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride is Cl.NC=O.O=C(O)[C@@H]1CCNC1=O.
What is the InChIKey of formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is RWZPSDHZOKWOHK-HWYNEVGZSA-N. The full InChI is InChI=1S/C5H7NO3.CH3NO.ClH/c7-4-3(5(8)9)1-2-6-4;2-1-3;/h3H,1-2H2,(H,6,7)(H,8,9);1H,(H2,2,3);1H/t3-;;/m1../s1.
What are the key properties of formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride?
formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 210.62 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 175132511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).