2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid

C10H14N2O4 — CID 62695032

IUPAC2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
SMILESCN1C(=O)CC(NC(C(=O)O)C2CC2)C1=O
InChIInChI=1S/C10H14N2O4/c1-12-7(13)4-6(9(12)14)11-8(10(15)16)5-2-3-5/h5-6,8,11H,2-4H2,1H3,(H,15,16)
InChIKeyXMLOMFCEYRMPLC-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.80
Rot. Bonds4

About 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid

2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid (PubChem CID 62695032) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
PubChem CID62695032
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
SMILESCN1C(=O)CC(NC(C(=O)O)C2CC2)C1=O
InChIInChI=1S/C10H14N2O4/c1-12-7(13)4-6(9(12)14)11-8(10(15)16)5-2-3-5/h5-6,8,11H,2-4H2,1H3,(H,15,16)
InChIKeyXMLOMFCEYRMPLC-UHFFFAOYSA-N
XLogP-0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid (CID 62695032) is 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid is CN1C(=O)CC(NC(C(=O)O)C2CC2)C1=O.
What is the InChIKey of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
The InChIKey is XMLOMFCEYRMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-7(13)4-6(9(12)14)11-8(10(15)16)5-2-3-5/h5-6,8,11H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid?
2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 62695032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).