5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid

C14H23NO2S — CID 65254843

IUPAC5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
SMILESCCN(CCCC(C)(C)C(=O)O)Cc1cccs1
InChIInChI=1S/C14H23NO2S/c1-4-15(11-12-7-5-10-18-12)9-6-8-14(2,3)13(16)17/h5,7,10H,4,6,8-9,11H2,1-3H3,(H,16,17)
InChIKeyBRMNFWKJBNUDPN-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.46
Rot. Bonds8

About 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid

5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid (PubChem CID 65254843) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
PubChem CID65254843
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
SMILESCCN(CCCC(C)(C)C(=O)O)Cc1cccs1
InChIInChI=1S/C14H23NO2S/c1-4-15(11-12-7-5-10-18-12)9-6-8-14(2,3)13(16)17/h5,7,10H,4,6,8-9,11H2,1-3H3,(H,16,17)
InChIKeyBRMNFWKJBNUDPN-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
CID 65259252
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
CID 61436692
3-[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918900
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid (CID 65254843) is 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid is CCN(CCCC(C)(C)C(=O)O)Cc1cccs1.
What is the InChIKey of 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid?
The InChIKey is BRMNFWKJBNUDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-15(11-12-7-5-10-18-12)9-6-8-14(2,3)13(16)17/h5,7,10H,4,6,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid?
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid has a molecular weight of 269.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65254843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).