2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid

C9H13NO3 — CID 24699000

IUPAC2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CC1C=CCC1
InChIInChI=1S/C9H13NO3/c11-8(10-6-9(12)13)5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,10,11)(H,12,13)
InChIKeyZHSHLRFLVYKUAW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds4

About 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid

2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid (PubChem CID 24699000) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid
PubChem CID24699000
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CC1C=CCC1
InChIInChI=1S/C9H13NO3/c11-8(10-6-9(12)13)5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,10,11)(H,12,13)
InChIKeyZHSHLRFLVYKUAW-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-en-1-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid (CID 24699000) is 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid is O=C(O)CNC(=O)CC1C=CCC1.
What is the InChIKey of 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid?
The InChIKey is ZHSHLRFLVYKUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8(10-6-9(12)13)5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid?
2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopent-2-en-1-ylacetyl)amino]acetic acid is sourced from PubChem (CID 24699000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).