2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid

C14H22N2O3S — CID 65223595

IUPAC2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)c1ccc(C)s1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-4-5-11(13(17)18)8-15-14(19)16-10(3)12-7-6-9(2)20-12/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyAOKKAWPKGGKXRK-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.92
Rot. Bonds7

About 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid

2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid (PubChem CID 65223595) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
PubChem CID65223595
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)c1ccc(C)s1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-4-5-11(13(17)18)8-15-14(19)16-10(3)12-7-6-9(2)20-12/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyAOKKAWPKGGKXRK-UHFFFAOYSA-N
XLogP2.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

3-methyl-2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65223596
2-hydroxy-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 107838979
(2S,3S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61475897
2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
CID 65221822
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
2-[[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]methyl]butanoic acid
CID 65223899
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65224155
2-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65221198
2-[[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 113387472
(2S)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61476029
1-[(4-bromophenyl)methyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 86896043

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid (CID 65223595) is 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NC(C)c1ccc(C)s1)C(=O)O.
What is the InChIKey of 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is AOKKAWPKGGKXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-5-11(13(17)18)8-15-14(19)16-10(3)12-7-6-9(2)20-12/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid?
2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65223595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).