2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid

C10H15NO3S — CID 104643956

IUPAC2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
SMILESCC(NCC(C)(O)C(=O)O)c1cccs1
InChIInChI=1S/C10H15NO3S/c1-7(8-4-3-5-15-8)11-6-10(2,14)9(12)13/h3-5,7,11,14H,6H2,1-2H3,(H,12,13)
InChIKeyGKRREXJTBIJLFW-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.23
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid

2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid (PubChem CID 104643956) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
PubChem CID104643956
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
SMILESCC(NCC(C)(O)C(=O)O)c1cccs1
InChIInChI=1S/C10H15NO3S/c1-7(8-4-3-5-15-8)11-6-10(2,14)9(12)13/h3-5,7,11,14H,6H2,1-2H3,(H,12,13)
InChIKeyGKRREXJTBIJLFW-UHFFFAOYSA-N
XLogP1.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 104536070
2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]propanoic acid
CID 66177213
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
methyl 2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 113436506
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
3-[1-(2-fluorophenyl)ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644214
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoic acid
CID 103257806
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 104893383

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid (CID 104643956) is 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid is CC(NCC(C)(O)C(=O)O)c1cccs1.
What is the InChIKey of 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid?
The InChIKey is GKRREXJTBIJLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7(8-4-3-5-15-8)11-6-10(2,14)9(12)13/h3-5,7,11,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid?
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.23, 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-(1-thiophen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 104643956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).