(2R)-4-azaniumyl-2-methylbutanoate

C5H11NO2 — CID 6954860

IUPAC(2R)-4-azaniumyl-2-methylbutanoate
SMILESC[C@H](CC[NH3+])C(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyAEBRINKRALSWNY-SCSAIBSYSA-N
MW117.15 g/mol
LogP-2.00
Rot. Bonds3

About (2R)-4-azaniumyl-2-methylbutanoate

(2R)-4-azaniumyl-2-methylbutanoate (PubChem CID 6954860) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2R)-4-azaniumyl-2-methylbutanoate.

Molecular Properties

Compound Name(2R)-4-azaniumyl-2-methylbutanoate
PubChem CID6954860
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2R)-4-azaniumyl-2-methylbutanoate
SMILESC[C@H](CC[NH3+])C(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyAEBRINKRALSWNY-SCSAIBSYSA-N
XLogP-2.00
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 ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-azaniumyl-2-methylhexanoate
CID 58988616
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylpentanoate)
CID 140813982
sodium 4-hydroxy-2-methylbutanoate
CID 23695196
(2R)-2-methylhexanoate
CID 6999857
(2R)-4-azaniumyl-2-hydroxybutanoate
CID 38988563
copper bis(2-methylhexanoate)
CID 19768945
2-methylbutanoate
CID 91073357
dipotassium;2-methylhexanedioate
CID 88781923
magnesium bis(2-methylnonanoate)
CID 175226104
magnesium bis(2-methylbutanoate)
CID 88739715
bis(2-methylbutanoate);niobium(2+)
CID 18939928

Frequently Asked Questions

What is the IUPAC name of (2R)-4-azaniumyl-2-methylbutanoate?
The IUPAC name of (2R)-4-azaniumyl-2-methylbutanoate (CID 6954860) is (2R)-4-azaniumyl-2-methylbutanoate.
What is the SMILES notation for (2R)-4-azaniumyl-2-methylbutanoate?
The canonical SMILES for (2R)-4-azaniumyl-2-methylbutanoate is C[C@H](CC[NH3+])C(=O)[O-].
What is the InChIKey of (2R)-4-azaniumyl-2-methylbutanoate?
The InChIKey is AEBRINKRALSWNY-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-4-azaniumyl-2-methylbutanoate?
(2R)-4-azaniumyl-2-methylbutanoate has a molecular weight of 117.15 g/mol, XLogP of -2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-azaniumyl-2-methylbutanoate is sourced from PubChem (CID 6954860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).