2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid

C11H23NO2S — CID 107755938

IUPAC2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
SMILESCCNC(C)(CSCC(C)CC)C(=O)O
InChIInChI=1S/C11H23NO2S/c1-5-9(3)7-15-8-11(4,10(13)14)12-6-2/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyYMFYXDDUZPEGTJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.22
Rot. Bonds8

About 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid

2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid (PubChem CID 107755938) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
PubChem CID107755938
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
SMILESCCNC(C)(CSCC(C)CC)C(=O)O
InChIInChI=1S/C11H23NO2S/c1-5-9(3)7-15-8-11(4,10(13)14)12-6-2/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyYMFYXDDUZPEGTJ-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propanoic acid
CID 107756073
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
CID 107771793
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid
CID 107756102
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
2-(ethylamino)-2-methyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 62770204
methyl 2-(ethylamino)-2-methyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756184
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
3-(2-methylbutylsulfanyl)propanoic acid
CID 62105843
2-methyl-4-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 107756126

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid (CID 107755938) is 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid is CCNC(C)(CSCC(C)CC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid?
The InChIKey is YMFYXDDUZPEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-9(3)7-15-8-11(4,10(13)14)12-6-2/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid?
2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid has a molecular weight of 233.38 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid is sourced from PubChem (CID 107755938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).