[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid

C11H17N3O3S — CID 141011447

IUPAC[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid
SMILESCN(C)NC(=O)[C@@H](Cc1cccs1)N(C)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-13(2)12-10(15)9(14(3)11(16)17)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,12,15)(H,16,17)/t9-/m1/s1
InChIKeyZASZZAHVTFRCQQ-SECBINFHSA-N
MW271.34 g/mol
LogP0.86
Rot. Bonds5

About [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid

[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid (PubChem CID 141011447) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid
PubChem CID141011447
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid
SMILESCN(C)NC(=O)[C@@H](Cc1cccs1)N(C)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-13(2)12-10(15)9(14(3)11(16)17)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,12,15)(H,16,17)/t9-/m1/s1
InChIKeyZASZZAHVTFRCQQ-SECBINFHSA-N
XLogP0.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid?
The IUPAC name of [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid (CID 141011447) is [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid.
What is the SMILES notation for [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid?
The canonical SMILES for [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid is CN(C)NC(=O)[C@@H](Cc1cccs1)N(C)C(=O)O.
What is the InChIKey of [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid?
The InChIKey is ZASZZAHVTFRCQQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13(2)12-10(15)9(14(3)11(16)17)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,12,15)(H,16,17)/t9-/m1/s1.
What are the key properties of [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid?
[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid has a molecular weight of 271.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 141011447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).