6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid

C14H20N2O4S — CID 63292490

IUPAC6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
SMILESCC(Cc1cccs1)NC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C14H20N2O4S/c1-10(9-11-5-4-8-21-11)15-14(20)16-12(17)6-2-3-7-13(18)19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyGPADSLDFKXEVLM-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.15
Rot. Bonds8

About 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid

6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid (PubChem CID 63292490) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
PubChem CID63292490
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
SMILESCC(Cc1cccs1)NC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C14H20N2O4S/c1-10(9-11-5-4-8-21-11)15-14(20)16-12(17)6-2-3-7-13(18)19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyGPADSLDFKXEVLM-UHFFFAOYSA-N
XLogP2.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
2,3-dimethyl-4-oxo-4-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76994566
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid (CID 63292490) is 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid is CC(Cc1cccs1)NC(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid?
The InChIKey is GPADSLDFKXEVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(9-11-5-4-8-21-11)15-14(20)16-12(17)6-2-3-7-13(18)19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid?
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid has a molecular weight of 312.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 63292490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).