2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid

C13H19NO3 — CID 104644812

IUPAC2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
SMILESCc1cccc([C@@H](C)NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-9-5-4-6-11(7-9)10(2)14-8-13(3,17)12(15)16/h4-7,10,14,17H,8H2,1-3H3,(H,15,16)/t10-,13?/m1/s1
InChIKeyAMHWOGUGDQPMTO-VUUHIHSGSA-N
MW237.30 g/mol
LogP1.48
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid (PubChem CID 104644812) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
PubChem CID104644812
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
SMILESCc1cccc([C@@H](C)NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-9-5-4-6-11(7-9)10(2)14-8-13(3,17)12(15)16/h4-7,10,14,17H,8H2,1-3H3,(H,15,16)/t10-,13?/m1/s1
InChIKeyAMHWOGUGDQPMTO-VUUHIHSGSA-N
XLogP1.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
4-[1-(3-methylphenyl)ethylamino]butanoic acid
CID 60782836
methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 113436572
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419088
methyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 104644821
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419089
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid (CID 104644812) is 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid is Cc1cccc([C@@H](C)NCC(C)(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid?
The InChIKey is AMHWOGUGDQPMTO-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-4-6-11(7-9)10(2)14-8-13(3,17)12(15)16/h4-7,10,14,17H,8H2,1-3H3,(H,15,16)/t10-,13?/m1/s1.
What are the key properties of 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 104644812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).