6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid

C15H25NO2S — CID 65289197

IUPAC6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid
SMILESCCc1ccc(CNC(C)CCCC(C)C(=O)O)s1
InChIInChI=1S/C15H25NO2S/c1-4-13-8-9-14(19-13)10-16-12(3)7-5-6-11(2)15(17)18/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyHIELOGDYUGDPRX-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.68
Rot. Bonds9

About 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid

6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid (PubChem CID 65289197) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid
PubChem CID65289197
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid
SMILESCCc1ccc(CNC(C)CCCC(C)C(=O)O)s1
InChIInChI=1S/C15H25NO2S/c1-4-13-8-9-14(19-13)10-16-12(3)7-5-6-11(2)15(17)18/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyHIELOGDYUGDPRX-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-chlorothiophen-2-yl)methylamino]-2-methylheptanoic acid
CID 65289196
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
2-methyl-6-(1,3-thiazol-5-ylmethylamino)heptanoic acid
CID 112641429
2-[5-[(5-hydroxypentan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 82888365
5-[(heptan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103247320
2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82886272
5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
CID 103233758
methyl 2-[5-[(4-methylsulfanylbutan-2-ylamino)methyl]thiophen-2-yl]acetate
CID 115907619
6-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylheptanoic acid
CID 65322752
methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methylbutanoate
CID 43452285
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103268666

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid?
The IUPAC name of 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid (CID 65289197) is 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid is CCc1ccc(CNC(C)CCCC(C)C(=O)O)s1.
What is the InChIKey of 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid?
The InChIKey is HIELOGDYUGDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-13-8-9-14(19-13)10-16-12(3)7-5-6-11(2)15(17)18/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid?
6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid has a molecular weight of 283.44 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid is sourced from PubChem (CID 65289197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).