2-acetamido-2-ethyl-4-methylhexanoic acid

C11H21NO3 — CID 63702394

IUPAC2-acetamido-2-ethyl-4-methylhexanoic acid
SMILESCCC(C)CC(CC)(NC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(3)7-11(6-2,10(14)15)12-9(4)13/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyIWXSRMKEYLQNSM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds6

About 2-acetamido-2-ethyl-4-methylhexanoic acid

2-acetamido-2-ethyl-4-methylhexanoic acid (PubChem CID 63702394) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-acetamido-2-ethyl-4-methylhexanoic acid.

Molecular Properties

Compound Name2-acetamido-2-ethyl-4-methylhexanoic acid
PubChem CID63702394
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-acetamido-2-ethyl-4-methylhexanoic acid
SMILESCCC(C)CC(CC)(NC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(3)7-11(6-2,10(14)15)12-9(4)13/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyIWXSRMKEYLQNSM-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2,2,4-trimethylhexanoic acid
CID 15564208
ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
2-acetamido-2-ethylbutanoic acid;1,2,3-trimethylbenzene
CID 67885235
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356
2-anilino-2-ethyl-4-methylhexanamide
CID 54889196
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549
2-acetamido-2-ethyl-N-methylbutanamide;hydrate
CID 45120258
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-ethyl-4-methylhexanoic acid?
The IUPAC name of 2-acetamido-2-ethyl-4-methylhexanoic acid (CID 63702394) is 2-acetamido-2-ethyl-4-methylhexanoic acid.
What is the SMILES notation for 2-acetamido-2-ethyl-4-methylhexanoic acid?
The canonical SMILES for 2-acetamido-2-ethyl-4-methylhexanoic acid is CCC(C)CC(CC)(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-2-ethyl-4-methylhexanoic acid?
The InChIKey is IWXSRMKEYLQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(3)7-11(6-2,10(14)15)12-9(4)13/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-2-ethyl-4-methylhexanoic acid?
2-acetamido-2-ethyl-4-methylhexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-ethyl-4-methylhexanoic acid is sourced from PubChem (CID 63702394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).