2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid

C10H14N2O4 — CID 64767260

IUPAC2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)C1CC=CC1
InChIInChI=1S/C10H14N2O4/c13-8(11-6-9(14)15)5-12-10(16)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyXTGRHCXUEROFQA-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.73
Rot. Bonds5

About 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid

2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid (PubChem CID 64767260) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid
PubChem CID64767260
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)C1CC=CC1
InChIInChI=1S/C10H14N2O4/c13-8(11-6-9(14)15)5-12-10(16)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyXTGRHCXUEROFQA-UHFFFAOYSA-N
XLogP-0.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid (CID 64767260) is 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)C1CC=CC1.
What is the InChIKey of 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is XTGRHCXUEROFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8(11-6-9(14)15)5-12-10(16)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid?
2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 64767260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).