2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid

C12H14O4S — CID 70067264

IUPAC2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)CCC(c1cccs1)C1CC1C(=O)O
InChIInChI=1S/C12H14O4S/c13-11(14)4-3-7(10-2-1-5-17-10)8-6-9(8)12(15)16/h1-2,5,7-9H,3-4,6H2,(H,13,14)(H,15,16)
InChIKeyZQNHYPWIRRVPOU-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.42
Rot. Bonds6

About 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid

2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 70067264) has the molecular formula C12H14O4S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
PubChem CID70067264
Molecular FormulaC12H14O4S
Molecular Weight254.31 g/mol
Exact Mass254.06
IUPAC Name2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)CCC(c1cccs1)C1CC1C(=O)O
InChIInChI=1S/C12H14O4S/c13-11(14)4-3-7(10-2-1-5-17-10)8-6-9(8)12(15)16/h1-2,5,7-9H,3-4,6H2,(H,13,14)(H,15,16)
InChIKeyZQNHYPWIRRVPOU-UHFFFAOYSA-N
XLogP2.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 83934845
6-[hydroxy(thiophen-2-yl)methyl]cyclohex-3-ene-1-carboxylic acid
CID 43120546
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
CID 156789999
4-thiophen-2-yl-4-triethylsilyloxybutanoic acid
CID 177439377
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727742
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724

Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid (CID 70067264) is 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid is O=C(O)CCC(c1cccs1)C1CC1C(=O)O.
What is the InChIKey of 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZQNHYPWIRRVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4S/c13-11(14)4-3-7(10-2-1-5-17-10)8-6-9(8)12(15)16/h1-2,5,7-9H,3-4,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid?
2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70067264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).