2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide

C9H15FN4O3 — CID 167443226

IUPAC2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide
SMILESNC(=O)CN(NC(=O)[C@@H]1CCCN1)C(=O)CF
InChIInChI=1S/C9H15FN4O3/c10-4-8(16)14(5-7(11)15)13-9(17)6-2-1-3-12-6/h6,12H,1-5H2,(H2,11,15)(H,13,17)/t6-/m0/s1
InChIKeyVPPMXMWMIYELTA-LURJTMIESA-N
MW246.24 g/mol
LogP-1.95
Rot. Bonds4

About 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide

2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide (PubChem CID 167443226) has the molecular formula C9H15FN4O3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide.

Molecular Properties

Compound Name2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide
PubChem CID167443226
Molecular FormulaC9H15FN4O3
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide
SMILESNC(=O)CN(NC(=O)[C@@H]1CCCN1)C(=O)CF
InChIInChI=1S/C9H15FN4O3/c10-4-8(16)14(5-7(11)15)13-9(17)6-2-1-3-12-6/h6,12H,1-5H2,(H2,11,15)(H,13,17)/t6-/m0/s1
InChIKeyVPPMXMWMIYELTA-LURJTMIESA-N
XLogP-1.95
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide?
The IUPAC name of 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide (CID 167443226) is 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide.
What is the SMILES notation for 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide?
The canonical SMILES for 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide is NC(=O)CN(NC(=O)[C@@H]1CCCN1)C(=O)CF.
What is the InChIKey of 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide?
The InChIKey is VPPMXMWMIYELTA-LURJTMIESA-N. The full InChI is InChI=1S/C9H15FN4O3/c10-4-8(16)14(5-7(11)15)13-9(17)6-2-1-3-12-6/h6,12H,1-5H2,(H2,11,15)(H,13,17)/t6-/m0/s1.
What are the key properties of 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide?
2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide has a molecular weight of 246.24 g/mol, XLogP of -1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide is sourced from PubChem (CID 167443226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).