2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride

C8H10ClN3O5 — CID 19922511

IUPAC2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
SMILESCl.NN(CC(=O)O)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H9N3O5.ClH/c9-11(4-8(15)16)7(14)3-10-5(12)1-2-6(10)13;/h1-2H,3-4,9H2,(H,15,16);1H
InChIKeyVGRCTNZLXFFQHG-UHFFFAOYSA-N
MW263.64 g/mol
LogP-1.88
Rot. Bonds4

About 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride

2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride (PubChem CID 19922511) has the molecular formula C8H10ClN3O5 and a molecular weight of 263.64 g/mol. Its IUPAC name is 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
PubChem CID19922511
Molecular FormulaC8H10ClN3O5
Molecular Weight263.64 g/mol
Exact Mass263.03
IUPAC Name2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
SMILESCl.NN(CC(=O)O)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H9N3O5.ClH/c9-11(4-8(15)16)7(14)3-10-5(12)1-2-6(10)13;/h1-2H,3-4,9H2,(H,15,16);1H
InChIKeyVGRCTNZLXFFQHG-UHFFFAOYSA-N
XLogP-1.88
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride (CID 19922511) is 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride is Cl.NN(CC(=O)O)C(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride?
The InChIKey is VGRCTNZLXFFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5.ClH/c9-11(4-8(15)16)7(14)3-10-5(12)1-2-6(10)13;/h1-2H,3-4,9H2,(H,15,16);1H.
What are the key properties of 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride?
2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride has a molecular weight of 263.64 g/mol, XLogP of -1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 19922511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).