2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide

C9H14N2O2S — CID 106174788

IUPAC2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
SMILESNC(=O)C(O)CNCCc1cccs1
InChIInChI=1S/C9H14N2O2S/c10-9(13)8(12)6-11-4-3-7-2-1-5-14-7/h1-2,5,8,11-12H,3-4,6H2,(H2,10,13)
InChIKeyPPJGHLHEIIKAPA-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.27
Rot. Bonds6

About 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide

2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide (PubChem CID 106174788) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
PubChem CID106174788
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
SMILESNC(=O)C(O)CNCCc1cccs1
InChIInChI=1S/C9H14N2O2S/c10-9(13)8(12)6-11-4-3-7-2-1-5-14-7/h1-2,5,8,11-12H,3-4,6H2,(H2,10,13)
InChIKeyPPJGHLHEIIKAPA-UHFFFAOYSA-N
XLogP-0.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide (CID 106174788) is 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide is NC(=O)C(O)CNCCc1cccs1.
What is the InChIKey of 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide?
The InChIKey is PPJGHLHEIIKAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-9(13)8(12)6-11-4-3-7-2-1-5-14-7/h1-2,5,8,11-12H,3-4,6H2,(H2,10,13).
What are the key properties of 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide?
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide has a molecular weight of 214.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 106174788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).