[(1S)-1-carboxy-2-methylpropyl]azanium

C5H12NO2+ — CID 5460782

IUPAC[(1S)-1-carboxy-2-methylpropyl]azanium
SMILESCC(C)[C@H]([NH3+])C(=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-O
MW118.16 g/mol
LogP-0.66
Rot. Bonds2

About [(1S)-1-carboxy-2-methylpropyl]azanium

[(1S)-1-carboxy-2-methylpropyl]azanium (PubChem CID 5460782) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-methylpropyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-methylpropyl]azanium
PubChem CID5460782
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name[(1S)-1-carboxy-2-methylpropyl]azanium
SMILESCC(C)[C@H]([NH3+])C(=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-O
XLogP-0.66
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-methylpropyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-methylpropyl]azanium (CID 5460782) is [(1S)-1-carboxy-2-methylpropyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-methylpropyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-methylpropyl]azanium is CC(C)[C@H]([NH3+])C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-methylpropyl]azanium?
The InChIKey is KZSNJWFQEVHDMF-BYPYZUCNSA-O. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-methylpropyl]azanium?
[(1S)-1-carboxy-2-methylpropyl]azanium has a molecular weight of 118.16 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-methylpropyl]azanium is sourced from PubChem (CID 5460782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).