(2R)-2-azaniumyl-3-methylbutanoate

C5H11NO2 — CID 6971095

IUPAC(2R)-2-azaniumyl-3-methylbutanoate
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)/t4-/m1/s1
InChIKeyKZSNJWFQEVHDMF-SCSAIBSYSA-N
MW117.15 g/mol
LogP-2.00
Rot. Bonds2

About (2R)-2-azaniumyl-3-methylbutanoate

(2R)-2-azaniumyl-3-methylbutanoate (PubChem CID 6971095) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-methylbutanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-methylbutanoate
PubChem CID6971095
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2R)-2-azaniumyl-3-methylbutanoate
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)/t4-/m1/s1
InChIKeyKZSNJWFQEVHDMF-SCSAIBSYSA-N
XLogP-2.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-azaniumyl-3-hydroxybutanoate
CID 15341575
(2R,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995277
(2R,3S,4R)-2-azaniumyl-4-hydroxy-3-methylpentanoate
CID 26082623
(2S,3S)-2-azaniumyl-4,4,4-trifluoro-3-methylbutanoate
CID 6992670
propan-2-ylazanium acetate
CID 22623609
2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
CID 139301413
(2R,3S)-2-azaniumyl-3-hydroxypentanoate
CID 86308698
(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]butanedioate
CID 7009607
(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-hydroxypropanoate;trihydrate
CID 139059604
(2R,3R)-2-azaniumyl-3-phenylbutanoate
CID 6951461
dilithium;2-methylpropanedioate
CID 87066943
barium(2+);bis(2-methylpropanoate)
CID 23219604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-3-methylbutanoate?
The IUPAC name of (2R)-2-azaniumyl-3-methylbutanoate (CID 6971095) is (2R)-2-azaniumyl-3-methylbutanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-methylbutanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-methylbutanoate is CC(C)[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-methylbutanoate?
The InChIKey is KZSNJWFQEVHDMF-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-3-methylbutanoate?
(2R)-2-azaniumyl-3-methylbutanoate has a molecular weight of 117.15 g/mol, XLogP of -2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-methylbutanoate is sourced from PubChem (CID 6971095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).