(2S)-2-acetamido-N,4-dimethylpentanamide

C9H18N2O2 — CID 6950977

IUPAC(2S)-2-acetamido-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)/t8-/m0/s1
InChIKeyGFQFFCFJVLJXRY-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.28
Rot. Bonds4

About (2S)-2-acetamido-N,4-dimethylpentanamide

(2S)-2-acetamido-N,4-dimethylpentanamide (PubChem CID 6950977) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-acetamido-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N,4-dimethylpentanamide
PubChem CID6950977
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-acetamido-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)/t8-/m0/s1
InChIKeyGFQFFCFJVLJXRY-QMMMGPOBSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acetylleucyl-leucyl-norleucinal
CID 443118
Melanostatin
CID 92910
L-Leucyl-L-alanine
CID 81721
Valrocemide
CID 6918293
(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate
CID 1548899
Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Leu-Gly
CID 97364
Cyclo(leucylglycine)
CID 2902
Leucylvaline
CID 352038
Leucylglycine
CID 79070
Isoleucylglycine
CID 342532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-acetamido-N,4-dimethylpentanamide (CID 6950977) is (2S)-2-acetamido-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-acetamido-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-acetamido-N,4-dimethylpentanamide is CNC(=O)[C@H](CC(C)C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N,4-dimethylpentanamide?
The InChIKey is GFQFFCFJVLJXRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-acetamido-N,4-dimethylpentanamide?
(2S)-2-acetamido-N,4-dimethylpentanamide has a molecular weight of 186.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N,4-dimethylpentanamide is sourced from PubChem (CID 6950977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).