(3S)-3-azaniumylpentanoate

C5H11NO2 — CID 25417383

IUPAC(3S)-3-azaniumylpentanoate
SMILESCC[C@H]([NH3+])CC(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyQFRURJKLPJVRQY-BYPYZUCNSA-N
MW117.15 g/mol
LogP-1.85
Rot. Bonds3

About (3S)-3-azaniumylpentanoate

(3S)-3-azaniumylpentanoate (PubChem CID 25417383) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3S)-3-azaniumylpentanoate.

Molecular Properties

Compound Name(3S)-3-azaniumylpentanoate
PubChem CID25417383
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3S)-3-azaniumylpentanoate
SMILESCC[C@H]([NH3+])CC(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyQFRURJKLPJVRQY-BYPYZUCNSA-N
XLogP-1.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-azaniumyl-5-methylhexanoate
CID 6934241
3-azaniumylnonanoate
CID 78263534
(3S)-3-azaniumyl-5-methylsulfanylpentanoate
CID 7014915
magnesium bis(3-hydroxypentanoate)
CID 164775085
dipotassium;2-ethylbutanedioate
CID 172823194
3-(trimethylazaniumyl)pentanoate
CID 141479827
azanium 3-(hydroxymethyl)pentanoate
CID 140566748
sodium 3-ethyl-4-oxopentanoate
CID 158418112
propan-2-ylazanium acetate
CID 22623609
calcium bis(3-methylbutanoate)
CID 6453767
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
copper(1+);propanoate
CID 22149607

Frequently Asked Questions

What is the IUPAC name of (3S)-3-azaniumylpentanoate?
The IUPAC name of (3S)-3-azaniumylpentanoate (CID 25417383) is (3S)-3-azaniumylpentanoate.
What is the SMILES notation for (3S)-3-azaniumylpentanoate?
The canonical SMILES for (3S)-3-azaniumylpentanoate is CC[C@H]([NH3+])CC(=O)[O-].
What is the InChIKey of (3S)-3-azaniumylpentanoate?
The InChIKey is QFRURJKLPJVRQY-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (3S)-3-azaniumylpentanoate?
(3S)-3-azaniumylpentanoate has a molecular weight of 117.15 g/mol, XLogP of -1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-azaniumylpentanoate is sourced from PubChem (CID 25417383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).