2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid

C10H18N2O4S — CID 106110354

IUPAC2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCOC(CNC(=O)NCC1CCCS1)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-16-8(9(13)14)6-12-10(15)11-5-7-3-2-4-17-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyJRMSDTKLMYDEDC-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.28
Rot. Bonds6

About 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid

2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 106110354) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID106110354
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCOC(CNC(=O)NCC1CCCS1)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-16-8(9(13)14)6-12-10(15)11-5-7-3-2-4-17-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyJRMSDTKLMYDEDC-UHFFFAOYSA-N
XLogP0.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-(thian-2-ylmethylcarbamoylamino)propanoic acid
CID 114144741
2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
CID 106107998
4-methoxy-2-(thiolan-2-ylmethylcarbamoylamino)butanoic acid
CID 80586596
2-methoxy-3-[(3-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 106110718
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
2-methoxy-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 114144666
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
(2S,3S)-3-methyl-2-(thian-2-ylmethylcarbamoylamino)pentanoic acid
CID 80612091
2-hydroxy-4-(thian-2-ylmethylcarbamoylamino)butanoic acid
CID 107840561
2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
3-methyl-3-(thiolan-2-ylmethylcarbamoylamino)butanoic acid
CID 80586461
2-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 106110039

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid (CID 106110354) is 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid is COC(CNC(=O)NCC1CCCS1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is JRMSDTKLMYDEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-16-8(9(13)14)6-12-10(15)11-5-7-3-2-4-17-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid?
2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 262.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106110354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).