3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid

C10H15NO2S — CID 64526594

IUPAC3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
SMILESCc1ccsc1C(CC(=O)O)N(C)C
InChIInChI=1S/C10H15NO2S/c1-7-4-5-14-10(7)8(11(2)3)6-9(12)13/h4-5,8H,6H2,1-3H3,(H,12,13)
InChIKeyLAGWIGNIBYMRCT-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.13
Rot. Bonds4

About 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid

3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid (PubChem CID 64526594) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
PubChem CID64526594
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
SMILESCc1ccsc1C(CC(=O)O)N(C)C
InChIInChI=1S/C10H15NO2S/c1-7-4-5-14-10(7)8(11(2)3)6-9(12)13/h4-5,8H,6H2,1-3H3,(H,12,13)
InChIKeyLAGWIGNIBYMRCT-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
CID 95127765
N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97116216
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N'-(2,5-dimethylphenyl)propanediamide
CID 50958954
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
CID 125157933
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432
3-amino-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115241731

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid (CID 64526594) is 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid is Cc1ccsc1C(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid?
The InChIKey is LAGWIGNIBYMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-4-5-14-10(7)8(11(2)3)6-9(12)13/h4-5,8H,6H2,1-3H3,(H,12,13).
What are the key properties of 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid?
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid has a molecular weight of 213.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 64526594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).