3-(acetamidomethyl)-5-methylhexanoic acid

C10H19NO3 — CID 11788902

IUPAC3-(acetamidomethyl)-5-methylhexanoic acid
SMILESCC(=O)NCC(CC(=O)O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)4-9(5-10(13)14)6-11-8(3)12/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyPJFBZFUFUXGFPK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds6

About 3-(acetamidomethyl)-5-methylhexanoic acid

3-(acetamidomethyl)-5-methylhexanoic acid (PubChem CID 11788902) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(acetamidomethyl)-5-methylhexanoic acid.

Molecular Properties

Compound Name3-(acetamidomethyl)-5-methylhexanoic acid
PubChem CID11788902
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(acetamidomethyl)-5-methylhexanoic acid
SMILESCC(=O)NCC(CC(=O)O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)4-9(5-10(13)14)6-11-8(3)12/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyPJFBZFUFUXGFPK-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-5-methylhexanoic acid?
The IUPAC name of 3-(acetamidomethyl)-5-methylhexanoic acid (CID 11788902) is 3-(acetamidomethyl)-5-methylhexanoic acid.
What is the SMILES notation for 3-(acetamidomethyl)-5-methylhexanoic acid?
The canonical SMILES for 3-(acetamidomethyl)-5-methylhexanoic acid is CC(=O)NCC(CC(=O)O)CC(C)C.
What is the InChIKey of 3-(acetamidomethyl)-5-methylhexanoic acid?
The InChIKey is PJFBZFUFUXGFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)4-9(5-10(13)14)6-11-8(3)12/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-(acetamidomethyl)-5-methylhexanoic acid?
3-(acetamidomethyl)-5-methylhexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-5-methylhexanoic acid is sourced from PubChem (CID 11788902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).