5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid

C14H21NO4S — CID 62965242

IUPAC5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOCCN(Cc1cccs1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H21NO4S/c1-11(9-14(17)18)8-13(16)15(5-6-19-2)10-12-4-3-7-20-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyWOKYUEVIOMFDCU-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.22
Rot. Bonds9

About 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid

5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965242) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965242
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOCCN(Cc1cccs1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H21NO4S/c1-11(9-14(17)18)8-13(16)15(5-6-19-2)10-12-4-3-7-20-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyWOKYUEVIOMFDCU-UHFFFAOYSA-N
XLogP2.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966393
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 17398213

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62965242) is 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid is COCCN(Cc1cccs1)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is WOKYUEVIOMFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(9-14(17)18)8-13(16)15(5-6-19-2)10-12-4-3-7-20-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).