2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid

C10H14N2O3 — CID 104643853

IUPAC2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
SMILESCC(O)(CNCc1ccncc1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(15,9(13)14)7-12-6-8-2-4-11-5-3-8/h2-5,12,15H,6-7H2,1H3,(H,13,14)
InChIKeyWACQSOOLLVNPHC-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.01
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid

2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid (PubChem CID 104643853) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
PubChem CID104643853
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
SMILESCC(O)(CNCc1ccncc1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(15,9(13)14)7-12-6-8-2-4-11-5-3-8/h2-5,12,15H,6-7H2,1H3,(H,13,14)
InChIKeyWACQSOOLLVNPHC-UHFFFAOYSA-N
XLogP0.01
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 79628858
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
CID 66172431
2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
CID 114331776
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643968
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
4-chloro-2,2-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 106140076
2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 111334298
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid (CID 104643853) is 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid is CC(O)(CNCc1ccncc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid?
The InChIKey is WACQSOOLLVNPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(15,9(13)14)7-12-6-8-2-4-11-5-3-8/h2-5,12,15H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid?
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.01, 5 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-(pyridin-4-ylmethylamino)propanoic acid is sourced from PubChem (CID 104643853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).