3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid

C14H22N2O3S — CID 63292320

IUPAC3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NC(C)Cc1cccs1)C(C)CC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-4-16(11(3)9-13(17)18)14(19)15-10(2)8-12-6-5-7-20-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyQTKGKOPLONBPMB-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.57
Rot. Bonds7

About 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid

3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid (PubChem CID 63292320) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
PubChem CID63292320
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NC(C)Cc1cccs1)C(C)CC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-4-16(11(3)9-13(17)18)14(19)15-10(2)8-12-6-5-7-20-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyQTKGKOPLONBPMB-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79285898
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid (CID 63292320) is 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid is CCN(C(=O)NC(C)Cc1cccs1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
The InChIKey is QTKGKOPLONBPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-16(11(3)9-13(17)18)14(19)15-10(2)8-12-6-5-7-20-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 63292320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).