2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid

C10H14N4O4 — CID 55103669

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid
SMILESNc1nonc1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H14N4O4/c11-9-8(12-18-13-9)10(17)14(5-7(15)16)6-3-1-2-4-6/h6H,1-5H2,(H2,11,13)(H,15,16)
InChIKeyVBVMZRUMAHCGHY-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.12
Rot. Bonds4

About 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid (PubChem CID 55103669) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid
PubChem CID55103669
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid
SMILESNc1nonc1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H14N4O4/c11-9-8(12-18-13-9)10(17)14(5-7(15)16)6-3-1-2-4-6/h6H,1-5H2,(H2,11,13)(H,15,16)
InChIKeyVBVMZRUMAHCGHY-UHFFFAOYSA-N
XLogP0.12
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid (CID 55103669) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid is Nc1nonc1C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid?
The InChIKey is VBVMZRUMAHCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-9-8(12-18-13-9)10(17)14(5-7(15)16)6-3-1-2-4-6/h6H,1-5H2,(H2,11,13)(H,15,16).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 55103669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).