[(2R,3R)-2-acetyl-3-methylpentyl]azanium

C8H18NO+ — CID 58388583

IUPAC[(2R,3R)-2-acetyl-3-methylpentyl]azanium
SMILESCC[C@@H](C)[C@H](C[NH3+])C(C)=O
InChIInChI=1S/C8H17NO/c1-4-6(2)8(5-9)7(3)10/h6,8H,4-5,9H2,1-3H3/p+1/t6-,8+/m1/s1
InChIKeyNMSOMKPBPRCGAH-SVRRBLITSA-O
MW144.24 g/mol
LogP0.48
Rot. Bonds4

About [(2R,3R)-2-acetyl-3-methylpentyl]azanium

[(2R,3R)-2-acetyl-3-methylpentyl]azanium (PubChem CID 58388583) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [(2R,3R)-2-acetyl-3-methylpentyl]azanium.

Molecular Properties

Compound Name[(2R,3R)-2-acetyl-3-methylpentyl]azanium
PubChem CID58388583
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name[(2R,3R)-2-acetyl-3-methylpentyl]azanium
SMILESCC[C@@H](C)[C@H](C[NH3+])C(C)=O
InChIInChI=1S/C8H17NO/c1-4-6(2)8(5-9)7(3)10/h6,8H,4-5,9H2,1-3H3/p+1/t6-,8+/m1/s1
InChIKeyNMSOMKPBPRCGAH-SVRRBLITSA-O
XLogP0.48
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-acetyl-3-methylpentyl]azanium?
The IUPAC name of [(2R,3R)-2-acetyl-3-methylpentyl]azanium (CID 58388583) is [(2R,3R)-2-acetyl-3-methylpentyl]azanium.
What is the SMILES notation for [(2R,3R)-2-acetyl-3-methylpentyl]azanium?
The canonical SMILES for [(2R,3R)-2-acetyl-3-methylpentyl]azanium is CC[C@@H](C)[C@H](C[NH3+])C(C)=O.
What is the InChIKey of [(2R,3R)-2-acetyl-3-methylpentyl]azanium?
The InChIKey is NMSOMKPBPRCGAH-SVRRBLITSA-O. The full InChI is InChI=1S/C8H17NO/c1-4-6(2)8(5-9)7(3)10/h6,8H,4-5,9H2,1-3H3/p+1/t6-,8+/m1/s1.
What are the key properties of [(2R,3R)-2-acetyl-3-methylpentyl]azanium?
[(2R,3R)-2-acetyl-3-methylpentyl]azanium has a molecular weight of 144.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-acetyl-3-methylpentyl]azanium is sourced from PubChem (CID 58388583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).