2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide

C8H12N2O2S — CID 115179675

IUPAC2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
SMILESCN(C(=O)C(N)CO)c1cccs1
InChIInChI=1S/C8H12N2O2S/c1-10(7-3-2-4-13-7)8(12)6(9)5-11/h2-4,6,11H,5,9H2,1H3
InChIKeyQUZIACSTSHLGHU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.03
Rot. Bonds3

About 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide

2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide (PubChem CID 115179675) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
PubChem CID115179675
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
SMILESCN(C(=O)C(N)CO)c1cccs1
InChIInChI=1S/C8H12N2O2S/c1-10(7-3-2-4-13-7)8(12)6(9)5-11/h2-4,6,11H,5,9H2,1H3
InChIKeyQUZIACSTSHLGHU-UHFFFAOYSA-N
XLogP0.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(1R)-1-hydroxyethyl]-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035530
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CID 19602467
6-(Methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one
CID 20590174
7-Methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one
CID 20590309
(3S)-3-amino-4-[[(1S)-1-carboxyethyl]-thiophen-2-ylamino]-4-oxobutanoic acid
CID 21311121
(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide
CID 54108393
3-Methyl-6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one
CID 60074685
N-[(4S)-3-oxo-1,2-oxazolidin-4-yl]-N-thiophen-2-ylacetamide
CID 67901987
N-(2-oxoazetidin-3-yl)-N-thiophen-2-ylacetamide
CID 70412251
(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoyl]-thiophen-2-ylamino]propanoic acid
CID 70477741
2-[[(2S)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoyl]-thiophen-2-ylamino]acetic acid
CID 70478048
2-[[(2S)-1-[[(1S)-1-carboxyethyl]-thiophen-2-ylamino]-1-oxopropan-2-yl]amino]propanoic acid
CID 70478630

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide (CID 115179675) is 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide is CN(C(=O)C(N)CO)c1cccs1.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide?
The InChIKey is QUZIACSTSHLGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-10(7-3-2-4-13-7)8(12)6(9)5-11/h2-4,6,11H,5,9H2,1H3.
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide?
2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide has a molecular weight of 200.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-methyl-N-thiophen-2-ylpropanamide is sourced from PubChem (CID 115179675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).