3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid

C9H18FNO2 — CID 89208920

IUPAC3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C(=O)O)C(F)C(C)C
InChIInChI=1S/C9H18FNO2/c1-5(2)7(10)8(9(12)13)11-6(3)4/h5-8,11H,1-4H3,(H,12,13)
InChIKeyWVLMNYRQAWOWHA-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.43
Rot. Bonds5

About 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid

3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 89208920) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID89208920
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C(=O)O)C(F)C(C)C
InChIInChI=1S/C9H18FNO2/c1-5(2)7(10)8(9(12)13)11-6(3)4/h5-8,11H,1-4H3,(H,12,13)
InChIKeyWVLMNYRQAWOWHA-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid (CID 89208920) is 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid is CC(C)NC(C(=O)O)C(F)C(C)C.
What is the InChIKey of 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is WVLMNYRQAWOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-5(2)7(10)8(9(12)13)11-6(3)4/h5-8,11H,1-4H3,(H,12,13).
What are the key properties of 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid?
3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 191.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 89208920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).