4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid

C10H18N2O4S — CID 66420292

IUPAC4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
SMILESO=C(CC1CSCCN1)NC(CCO)C(=O)O
InChIInChI=1S/C10H18N2O4S/c13-3-1-8(10(15)16)12-9(14)5-7-6-17-4-2-11-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)
InChIKeyABWZUVTUMJOMAY-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.97
Rot. Bonds6

About 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid

4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid (PubChem CID 66420292) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
PubChem CID66420292
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
SMILESO=C(CC1CSCCN1)NC(CCO)C(=O)O
InChIInChI=1S/C10H18N2O4S/c13-3-1-8(10(15)16)12-9(14)5-7-6-17-4-2-11-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)
InChIKeyABWZUVTUMJOMAY-UHFFFAOYSA-N
XLogP-0.97
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 106349945
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
dimethyl 2-[(2-thiomorpholin-3-ylacetyl)amino]butanedioate
CID 119938524
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
CID 66420236
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119940120
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 106175845

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid (CID 66420292) is 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid is O=C(CC1CSCCN1)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid?
The InChIKey is ABWZUVTUMJOMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-3-1-8(10(15)16)12-9(14)5-7-6-17-4-2-11-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16).
What are the key properties of 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid?
4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid has a molecular weight of 262.33 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 66420292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).