4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid

C11H16ClNO2S — CID 66090953

IUPAC4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
SMILESCC(C)(N)C(C)(CC(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-10(2,13)11(3,6-9(14)15)7-4-5-8(12)16-7/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyNDTYBJWWKOGNNZ-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.87
Rot. Bonds4

About 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid

4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid (PubChem CID 66090953) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
PubChem CID66090953
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
SMILESCC(C)(N)C(C)(CC(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-10(2,13)11(3,6-9(14)15)7-4-5-8(12)16-7/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyNDTYBJWWKOGNNZ-UHFFFAOYSA-N
XLogP2.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentanoic acid
CID 66089545
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
3-amino-3-(5-methylthiophen-2-yl)butanoic acid
CID 55271157
4-[(5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutanoic acid
CID 115220330
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 116608376
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
4-amino-3-(2,5-difluorophenyl)-3,4-dimethylpentanoic acid
CID 66089778
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
3-methyl-3-[5-(trifluoromethyl)thiophen-2-yl]butanoic acid
CID 68906860
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid?
The IUPAC name of 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid (CID 66090953) is 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid.
What is the SMILES notation for 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid?
The canonical SMILES for 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid is CC(C)(N)C(C)(CC(=O)O)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid?
The InChIKey is NDTYBJWWKOGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-10(2,13)11(3,6-9(14)15)7-4-5-8(12)16-7/h4-5H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid?
4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid has a molecular weight of 261.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid is sourced from PubChem (CID 66090953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).