N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide

C9H18FN3O3 — CID 174065776

IUPACN'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide
SMILESCNC(NC(=O)C(=O)NCC(C)O)[C@@H](C)F
InChIInChI=1S/C9H18FN3O3/c1-5(14)4-12-8(15)9(16)13-7(11-3)6(2)10/h5-7,11,14H,4H2,1-3H3,(H,12,15)(H,13,16)/t5?,6-,7?/m1/s1
InChIKeyBOLADCLYQNGJIQ-YURFNIAASA-N
MW235.26 g/mol
LogP-1.50
Rot. Bonds5

About N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide

N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide (PubChem CID 174065776) has the molecular formula C9H18FN3O3 and a molecular weight of 235.26 g/mol. Its IUPAC name is N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide
PubChem CID174065776
Molecular FormulaC9H18FN3O3
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC NameN'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide
SMILESCNC(NC(=O)C(=O)NCC(C)O)[C@@H](C)F
InChIInChI=1S/C9H18FN3O3/c1-5(14)4-12-8(15)9(16)13-7(11-3)6(2)10/h5-7,11,14H,4H2,1-3H3,(H,12,15)(H,13,16)/t5?,6-,7?/m1/s1
InChIKeyBOLADCLYQNGJIQ-YURFNIAASA-N
XLogP-1.50
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide?
The IUPAC name of N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide (CID 174065776) is N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide?
The canonical SMILES for N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide is CNC(NC(=O)C(=O)NCC(C)O)[C@@H](C)F.
What is the InChIKey of N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide?
The InChIKey is BOLADCLYQNGJIQ-YURFNIAASA-N. The full InChI is InChI=1S/C9H18FN3O3/c1-5(14)4-12-8(15)9(16)13-7(11-3)6(2)10/h5-7,11,14H,4H2,1-3H3,(H,12,15)(H,13,16)/t5?,6-,7?/m1/s1.
What are the key properties of N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide?
N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide has a molecular weight of 235.26 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide is sourced from PubChem (CID 174065776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).