2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid

C13H24N2O3 — CID 113436549

IUPAC2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid
SMILESCN1C2CCCC1CC(NCC(C)(O)C(=O)O)C2
InChIInChI=1S/C13H24N2O3/c1-13(18,12(16)17)8-14-9-6-10-4-3-5-11(7-9)15(10)2/h9-11,14,18H,3-8H2,1-2H3,(H,16,17)
InChIKeyDYVAPZFAQGYTES-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.43
Rot. Bonds4

About 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid (PubChem CID 113436549) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid
PubChem CID113436549
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid
SMILESCN1C2CCCC1CC(NCC(C)(O)C(=O)O)C2
InChIInChI=1S/C13H24N2O3/c1-13(18,12(16)17)8-14-9-6-10-4-3-5-11(7-9)15(10)2/h9-11,14,18H,3-8H2,1-2H3,(H,16,17)
InChIKeyDYVAPZFAQGYTES-UHFFFAOYSA-N
XLogP0.43
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid with MolForge

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Related Compounds

methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
CID 104644641
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865
N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 116789143
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840
N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471067
N,N-diethyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65473146
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381
1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 65471059
N-methyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-N-propan-2-ylacetamide
CID 65470299
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
1-methyl-5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631301

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid (CID 113436549) is 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid is CN1C2CCCC1CC(NCC(C)(O)C(=O)O)C2.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid?
The InChIKey is DYVAPZFAQGYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(18,12(16)17)8-14-9-6-10-4-3-5-11(7-9)15(10)2/h9-11,14,18H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid is sourced from PubChem (CID 113436549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).