3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid

C13H19N3O4S — CID 62826028

IUPAC3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
SMILESCCN(CC(=O)NNC(=O)c1cccs1)C(C)CC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-3-16(9(2)7-12(18)19)8-11(17)14-15-13(20)10-5-4-6-21-10/h4-6,9H,3,7-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyDNIHOVIPQFNWJX-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.69
Rot. Bonds7

About 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid

3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid (PubChem CID 62826028) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
PubChem CID62826028
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
SMILESCCN(CC(=O)NNC(=O)c1cccs1)C(C)CC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-3-16(9(2)7-12(18)19)8-11(17)14-15-13(20)10-5-4-6-21-10/h4-6,9H,3,7-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyDNIHOVIPQFNWJX-UHFFFAOYSA-N
XLogP0.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
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
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62827479

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid (CID 62826028) is 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid is CCN(CC(=O)NNC(=O)c1cccs1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid?
The InChIKey is DNIHOVIPQFNWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-3-16(9(2)7-12(18)19)8-11(17)14-15-13(20)10-5-4-6-21-10/h4-6,9H,3,7-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid?
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid has a molecular weight of 313.38 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid is sourced from PubChem (CID 62826028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).