2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid

C9H15NO4S — CID 106107998

IUPAC2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)C1CCCS1)C(=O)O
InChIInChI=1S/C9H15NO4S/c1-14-6(9(12)13)5-10-8(11)7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyUWWYGUMXQFYMBR-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.10
Rot. Bonds5

About 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid

2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid (PubChem CID 106107998) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
PubChem CID106107998
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)C1CCCS1)C(=O)O
InChIInChI=1S/C9H15NO4S/c1-14-6(9(12)13)5-10-8(11)7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyUWWYGUMXQFYMBR-UHFFFAOYSA-N
XLogP0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
CID 106110354
2-methoxy-3-(thian-2-ylmethylcarbamoylamino)propanoic acid
CID 114144741
3-[(thiolane-2-carbonylamino)methyl]pentanoic acid
CID 81066125
N-(2-chloro-3-methoxypropyl)thiane-2-carboxamide
CID 114298861
2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-hydroxy-4-(thiolane-2-carbonylamino)butanoic acid
CID 107831935
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid (CID 106107998) is 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid is COC(CNC(=O)C1CCCS1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid?
The InChIKey is UWWYGUMXQFYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-14-6(9(12)13)5-10-8(11)7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid?
2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid has a molecular weight of 233.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 106107998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).