3-fluoro-2-imino-4-methylpentanoic acid

C6H10FNO2 — CID 10396964

IUPAC3-fluoro-2-imino-4-methylpentanoic acid
SMILES[H]/N=C(\C(=O)O)C(F)C(C)C
InChIInChI=1S/C6H10FNO2/c1-3(2)4(7)5(8)6(9)10/h3-4,8H,1-2H3,(H,9,10)/b8-5-
InChIKeyVGMQSEKOJACLIX-YVMONPNESA-N
MW147.15 g/mol
LogP1.08
Rot. Bonds3

About 3-fluoro-2-imino-4-methylpentanoic acid

3-fluoro-2-imino-4-methylpentanoic acid (PubChem CID 10396964) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-fluoro-2-imino-4-methylpentanoic acid.

Molecular Properties

Compound Name3-fluoro-2-imino-4-methylpentanoic acid
PubChem CID10396964
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name3-fluoro-2-imino-4-methylpentanoic acid
SMILES[H]/N=C(\C(=O)O)C(F)C(C)C
InChIInChI=1S/C6H10FNO2/c1-3(2)4(7)5(8)6(9)10/h3-4,8H,1-2H3,(H,9,10)/b8-5-
InChIKeyVGMQSEKOJACLIX-YVMONPNESA-N
XLogP1.08
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-imino-4-methylpentanoic acid?
The IUPAC name of 3-fluoro-2-imino-4-methylpentanoic acid (CID 10396964) is 3-fluoro-2-imino-4-methylpentanoic acid.
What is the SMILES notation for 3-fluoro-2-imino-4-methylpentanoic acid?
The canonical SMILES for 3-fluoro-2-imino-4-methylpentanoic acid is [H]/N=C(\C(=O)O)C(F)C(C)C.
What is the InChIKey of 3-fluoro-2-imino-4-methylpentanoic acid?
The InChIKey is VGMQSEKOJACLIX-YVMONPNESA-N. The full InChI is InChI=1S/C6H10FNO2/c1-3(2)4(7)5(8)6(9)10/h3-4,8H,1-2H3,(H,9,10)/b8-5-.
What are the key properties of 3-fluoro-2-imino-4-methylpentanoic acid?
3-fluoro-2-imino-4-methylpentanoic acid has a molecular weight of 147.15 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-imino-4-methylpentanoic acid is sourced from PubChem (CID 10396964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).