(2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid

C7H11N3O4 — CID 46238223

IUPAC(2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid
SMILESN[C@H](CCCc1no[nH]c1=O)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m1/s1
InChIKeyJYPYAECWCSLQCE-SCSAIBSYSA-N
MW201.18 g/mol
LogP-0.90
Rot. Bonds5

About (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid

(2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid (PubChem CID 46238223) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid
PubChem CID46238223
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid
SMILESN[C@H](CCCc1no[nH]c1=O)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m1/s1
InChIKeyJYPYAECWCSLQCE-SCSAIBSYSA-N
XLogP-0.90
TPSA122.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R,8R)-2,8-diaminononanedioic acid
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2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-amino-5-(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)pentanoic acid
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(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-6-(3-methyl-5-oxo-1,2,4-oxadiazol-2-yl)hexanoic acid
CID 15551270
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid?
The IUPAC name of (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid (CID 46238223) is (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid?
The canonical SMILES for (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid is N[C@H](CCCc1no[nH]c1=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid?
The InChIKey is JYPYAECWCSLQCE-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid?
(2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid is sourced from PubChem (CID 46238223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).