methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate

C13H19N3O4S — CID 62026843

IUPACmethyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)NNC(=O)c1cccs1)C(C)C
InChIInChI=1S/C13H19N3O4S/c1-9(2)16(8-12(18)20-3)7-11(17)14-15-13(19)10-5-4-6-21-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyYYTSLNMYBSNUDY-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.39
Rot. Bonds6

About methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate

methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate (PubChem CID 62026843) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
PubChem CID62026843
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)NNC(=O)c1cccs1)C(C)C
InChIInChI=1S/C13H19N3O4S/c1-9(2)16(8-12(18)20-3)7-11(17)14-15-13(19)10-5-4-6-21-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyYYTSLNMYBSNUDY-UHFFFAOYSA-N
XLogP0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 115927504
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate (CID 62026843) is methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate is COC(=O)CN(CC(=O)NNC(=O)c1cccs1)C(C)C.
What is the InChIKey of methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate?
The InChIKey is YYTSLNMYBSNUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9(2)16(8-12(18)20-3)7-11(17)14-15-13(19)10-5-4-6-21-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,19).
What are the key properties of methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate?
methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate has a molecular weight of 313.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62026843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).