(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid

C10H14N2O4S — CID 107838444

IUPAC(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC[C@H](O)C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O4S/c1-6(8-3-2-4-17-8)12-10(16)11-5-7(13)9(14)15/h2-4,6-7,13H,5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7-/m0/s1
InChIKeyORVIWMLAGWZLFB-MLWJPKLSSA-N
MW258.30 g/mol
LogP0.55
Rot. Bonds5

About (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid

(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid (PubChem CID 107838444) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
PubChem CID107838444
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC[C@H](O)C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O4S/c1-6(8-3-2-4-17-8)12-10(16)11-5-7(13)9(14)15/h2-4,6-7,13H,5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7-/m0/s1
InChIKeyORVIWMLAGWZLFB-MLWJPKLSSA-N
XLogP0.55
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(1-thiophen-2-ylethylcarbamoylamino)pentanoic acid
CID 104686244
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94017330
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
CID 107838423
2-[(1-thiophen-2-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381318
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94029464
(2R)-4-methylsulfanyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 104909910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid (CID 107838444) is (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid is CC(NC(=O)NC[C@H](O)C(=O)O)c1cccs1.
What is the InChIKey of (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid?
The InChIKey is ORVIWMLAGWZLFB-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(8-3-2-4-17-8)12-10(16)11-5-7(13)9(14)15/h2-4,6-7,13H,5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid?
(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 107838444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).