(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride

C6H11ClN4O3 — CID 137184744

IUPAC(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1noc(=O)[nH]1.Cl
InChIInChI=1S/C6H10N4O3.ClH/c1-3(7)5(11)8-2-4-9-6(12)13-10-4;/h3H,2,7H2,1H3,(H,8,11)(H,9,10,12);1H/t3-;/m1./s1
InChIKeyJNYWSWHMGHPUQW-AENDTGMFSA-N
MW222.63 g/mol
LogP-1.25
Rot. Bonds3

About (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride (PubChem CID 137184744) has the molecular formula C6H11ClN4O3 and a molecular weight of 222.63 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
PubChem CID137184744
Molecular FormulaC6H11ClN4O3
Molecular Weight222.63 g/mol
Exact Mass222.05
IUPAC Name(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1noc(=O)[nH]1.Cl
InChIInChI=1S/C6H10N4O3.ClH/c1-3(7)5(11)8-2-4-9-6(12)13-10-4;/h3H,2,7H2,1H3,(H,8,11)(H,9,10,12);1H/t3-;/m1./s1
InChIKeyJNYWSWHMGHPUQW-AENDTGMFSA-N
XLogP-1.25
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride with MolForge

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Related Compounds

5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 137184745
1-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 137239609
1-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 137239610
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240
2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 137243246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride (CID 137184744) is (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCc1noc(=O)[nH]1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is JNYWSWHMGHPUQW-AENDTGMFSA-N. The full InChI is InChI=1S/C6H10N4O3.ClH/c1-3(7)5(11)8-2-4-9-6(12)13-10-4;/h3H,2,7H2,1H3,(H,8,11)(H,9,10,12);1H/t3-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 222.63 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 137184744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).