2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid

C14H22N2O3S — CID 65265950

IUPAC2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
SMILESCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-9(10-7-6-8-20-10)15-12(19)16-14(4,5)13(2,3)11(17)18/h6-9H,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyDYHDOBIVLRLHMV-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.00
Rot. Bonds5

About 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid

2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid (PubChem CID 65265950) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
PubChem CID65265950
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
SMILESCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-9(10-7-6-8-20-10)15-12(19)16-14(4,5)13(2,3)11(17)18/h6-9H,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyDYHDOBIVLRLHMV-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
CID 107838444
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid (CID 65265950) is 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid is CC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)c1cccs1.
What is the InChIKey of 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid?
The InChIKey is DYHDOBIVLRLHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(10-7-6-8-20-10)15-12(19)16-14(4,5)13(2,3)11(17)18/h6-9H,1-5H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid?
2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid has a molecular weight of 298.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65265950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).