5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid

C12H17NO3S — CID 79476519

IUPAC5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
SMILESCN(CCc1cccs1)C(=O)CCCC(=O)O
InChIInChI=1S/C12H17NO3S/c1-13(8-7-10-4-3-9-17-10)11(14)5-2-6-12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyJASBQRQJALTTMO-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.00
Rot. Bonds7

About 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid

5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid (PubChem CID 79476519) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
PubChem CID79476519
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
SMILESCN(CCc1cccs1)C(=O)CCCC(=O)O
InChIInChI=1S/C12H17NO3S/c1-13(8-7-10-4-3-9-17-10)11(14)5-2-6-12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyJASBQRQJALTTMO-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487712
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid (CID 79476519) is 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid is CN(CCc1cccs1)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid?
The InChIKey is JASBQRQJALTTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-13(8-7-10-4-3-9-17-10)11(14)5-2-6-12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16).
What are the key properties of 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid?
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid has a molecular weight of 255.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 79476519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).