(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid

C9H12N2O4S — CID 80757322

IUPAC(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1cccs1)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H12N2O4S/c12-5-7(8(13)14)11-9(15)10-4-6-2-1-3-16-6/h1-3,7,12H,4-5H2,(H,13,14)(H2,10,11,15)/t7-/m1/s1
InChIKeyJPDFLKRXBXAEQM-SSDOTTSWSA-N
MW244.27 g/mol
LogP-0.01
Rot. Bonds5

About (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid

(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 80757322) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID80757322
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1cccs1)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H12N2O4S/c12-5-7(8(13)14)11-9(15)10-4-6-2-1-3-16-6/h1-3,7,12H,4-5H2,(H,13,14)(H2,10,11,15)/t7-/m1/s1
InChIKeyJPDFLKRXBXAEQM-SSDOTTSWSA-N
XLogP-0.01
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
(2S)-4-methoxy-4-oxo-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 63304895
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 80756878
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-methyl-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 80540659
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 109379632

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid (CID 80757322) is (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid is O=C(NCc1cccs1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is JPDFLKRXBXAEQM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-5-7(8(13)14)11-9(15)10-4-6-2-1-3-16-6/h1-3,7,12H,4-5H2,(H,13,14)(H2,10,11,15)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 244.27 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 80757322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).