2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid

C13H20N2O3S — CID 62843561

IUPAC2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)c1ccsc1)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-4-6-13(3,11(16)17)15-12(18)14-9(2)10-5-7-19-8-10/h5,7-9H,4,6H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyCODFQMNMDLSXPW-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.75
Rot. Bonds6

About 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid

2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid (PubChem CID 62843561) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
PubChem CID62843561
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)c1ccsc1)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-4-6-13(3,11(16)17)15-12(18)14-9(2)10-5-7-19-8-10/h5,7-9H,4,6H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyCODFQMNMDLSXPW-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
2-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
CID 63244586
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62843352
2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
CID 65221822
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid (CID 62843561) is 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid is CCCC(C)(NC(=O)NC(C)c1ccsc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is CODFQMNMDLSXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-6-13(3,11(16)17)15-12(18)14-9(2)10-5-7-19-8-10/h5,7-9H,4,6H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid?
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62843561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).