azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate

C9H20N2O3 — CID 23653061

IUPACazanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate
SMILESCC(C)C[C@H](CC(N)=O)CC(=O)[O-].[NH4+]
InChIInChI=1S/C9H17NO3.H3N/c1-6(2)3-7(4-8(10)11)5-9(12)13;/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13);1H3/t7-;/m1./s1
InChIKeyNIVBISVLIXBGPT-OGFXRTJISA-N
MW204.27 g/mol
LogP0.04
Rot. Bonds6

About azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate

azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate (PubChem CID 23653061) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate.

Molecular Properties

Compound Nameazanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate
PubChem CID23653061
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Nameazanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate
SMILESCC(C)C[C@H](CC(N)=O)CC(=O)[O-].[NH4+]
InChIInChI=1S/C9H17NO3.H3N/c1-6(2)3-7(4-8(10)11)5-9(12)13;/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13);1H3/t7-;/m1./s1
InChIKeyNIVBISVLIXBGPT-OGFXRTJISA-N
XLogP0.04
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322
3-(2-methoxy-2-oxoethyl)-5-methylhexanoate
CID 86625415
(3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate;[(1S)-1-naphthalen-1-ylethyl]azanium
CID 24753728
3-methylbutanamide
CID 87933309
N-[2-(2-amino-2-oxoethyl)-4-methylpentyl]-methylboronamidic acid
CID 22970370
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
(3S)-3-azaniumyl-5-methylhexanoate
CID 6934241
calcium bis(3-methylbutanoate)
CID 6453767
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid
CID 163670628
(3S)-3-(aminomethyl)-5-methylhexanoic acid;(3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate;3-(2-amino-2-oxoethyl)-5-methylhexanoic acid;(3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid;4-(2-methylpropyl)oxane-2,6-dione;3-(2-methylpropyl)pentanedioic acid;(1R)-1-phenylethanamine;[(1R)-1-phenylethyl]azanium
CID 161412770
bis(3-methylbutanoate);propan-2-olate;titanium(3+)
CID 175820867

Frequently Asked Questions

What is the IUPAC name of azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate?
The IUPAC name of azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate (CID 23653061) is azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate.
What is the SMILES notation for azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate?
The canonical SMILES for azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate is CC(C)C[C@H](CC(N)=O)CC(=O)[O-].[NH4+].
What is the InChIKey of azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate?
The InChIKey is NIVBISVLIXBGPT-OGFXRTJISA-N. The full InChI is InChI=1S/C9H17NO3.H3N/c1-6(2)3-7(4-8(10)11)5-9(12)13;/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13);1H3/t7-;/m1./s1.
What are the key properties of azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate?
azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate has a molecular weight of 204.27 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate is sourced from PubChem (CID 23653061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).