4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid

C10H18N2O4S — CID 62480080

IUPAC4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)N1CCSCC1)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-16-5-2-8(9(13)14)11-10(15)12-3-6-17-7-4-12/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyGTFHBDKXBHWEKI-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.23
Rot. Bonds5

About 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid

4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid (PubChem CID 62480080) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
PubChem CID62480080
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)N1CCSCC1)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-16-5-2-8(9(13)14)11-10(15)12-3-6-17-7-4-12/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyGTFHBDKXBHWEKI-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(1,4-thiazepane-4-carbonylamino)propanoic acid
CID 81084619
4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
CID 62480436
4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62777483
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
(2S)-4-methylsulfanyl-2-(1,4-thiazepane-4-carbonylamino)butanoic acid
CID 61423138
4-methylsulfonyl-2-(1,4-thiazepane-4-carbonylamino)butanoic acid
CID 61423723
4-methoxy-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63615061
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid (CID 62480080) is 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid is COCCC(NC(=O)N1CCSCC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid?
The InChIKey is GTFHBDKXBHWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-16-5-2-8(9(13)14)11-10(15)12-3-6-17-7-4-12/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid?
4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid has a molecular weight of 262.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 62480080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).