(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide

C14H16N7O4+ — CID 142305411

IUPAC(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCC(O)=[NH+]1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H15N7O4/c15-10(22)5-8(19-12(24)7-1-2-11(23)18-7)13-20-21-14(25-13)9-6-16-3-4-17-9/h3-4,6-8H,1-2,5H2,(H2,15,22)(H,18,23)(H,19,24)/p+1/t7-,8-/m0/s1
InChIKeyBHILIUDVOCWHJT-YUMQZZPRSA-O
MW346.33 g/mol
LogP-2.24
Rot. Bonds6

About (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide

(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide (PubChem CID 142305411) has the molecular formula C14H16N7O4+ and a molecular weight of 346.33 g/mol. Its IUPAC name is (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide
PubChem CID142305411
Molecular FormulaC14H16N7O4+
Molecular Weight346.33 g/mol
Exact Mass346.13
IUPAC Name(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCC(O)=[NH+]1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H15N7O4/c15-10(22)5-8(19-12(24)7-1-2-11(23)18-7)13-20-21-14(25-13)9-6-16-3-4-17-9/h3-4,6-8H,1-2,5H2,(H2,15,22)(H,18,23)(H,19,24)/p+1/t7-,8-/m0/s1
InChIKeyBHILIUDVOCWHJT-YUMQZZPRSA-O
XLogP-2.24
TPSA171.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide (CID 142305411) is (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide is NC(=O)C[C@H](NC(=O)[C@@H]1CCC(O)=[NH+]1)c1nnc(-c2cnccn2)o1.
What is the InChIKey of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide?
The InChIKey is BHILIUDVOCWHJT-YUMQZZPRSA-O. The full InChI is InChI=1S/C14H15N7O4/c15-10(22)5-8(19-12(24)7-1-2-11(23)18-7)13-20-21-14(25-13)9-6-16-3-4-17-9/h3-4,6-8H,1-2,5H2,(H2,15,22)(H,18,23)(H,19,24)/p+1/t7-,8-/m0/s1.
What are the key properties of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide?
(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide has a molecular weight of 346.33 g/mol, XLogP of -2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-2-carboxamide is sourced from PubChem (CID 142305411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).