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

C9H12N4O4 — CID 55103620

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid
SMILESNc1nonc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C9H12N4O4/c10-8-7(11-17-12-8)9(16)13(4-6(14)15)3-5-1-2-5/h5H,1-4H2,(H2,10,12)(H,14,15)
InChIKeyKQPWVCULELSLGD-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.41
Rot. Bonds5

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 55103620) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID55103620
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid
SMILESNc1nonc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C9H12N4O4/c10-8-7(11-17-12-8)9(16)13(4-6(14)15)3-5-1-2-5/h5H,1-4H2,(H2,10,12)(H,14,15)
InChIKeyKQPWVCULELSLGD-UHFFFAOYSA-N
XLogP-0.41
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid (CID 55103620) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid is Nc1nonc1C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is KQPWVCULELSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-8-7(11-17-12-8)9(16)13(4-6(14)15)3-5-1-2-5/h5H,1-4H2,(H2,10,12)(H,14,15).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 240.22 g/mol, XLogP of -0.41, 5 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)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 55103620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).