2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid

C10H17N3O4S — CID 66443982

IUPAC2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
SMILESCC(=O)NNC(=O)CN1CCSCC1CC(=O)O
InChIInChI=1S/C10H17N3O4S/c1-7(14)11-12-9(15)5-13-2-3-18-6-8(13)4-10(16)17/h8H,2-6H2,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyFMSJAGPKFLUDMU-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.95
Rot. Bonds4

About 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66443982) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
PubChem CID66443982
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
SMILESCC(=O)NNC(=O)CN1CCSCC1CC(=O)O
InChIInChI=1S/C10H17N3O4S/c1-7(14)11-12-9(15)5-13-2-3-18-6-8(13)4-10(16)17/h8H,2-6H2,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyFMSJAGPKFLUDMU-UHFFFAOYSA-N
XLogP-0.95
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[4-[2-(methoxycarbonylamino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66443403
2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid
CID 66445341
2-[4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443588
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66445503
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443179
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66442954
2-[4-[2-(3-methylanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66444586
2-[4-(cyclobutylmethyl)thiomorpholin-3-yl]acetic acid
CID 66443385
2-(4-but-2-enylthiomorpholin-3-yl)acetic acid
CID 77134262
2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
CID 66444150
2-[4-(2,2-difluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66445733

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid (CID 66443982) is 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid is CC(=O)NNC(=O)CN1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is FMSJAGPKFLUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(14)11-12-9(15)5-13-2-3-18-6-8(13)4-10(16)17/h8H,2-6H2,1H3,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 275.33 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).