3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid

C14H19NO2S — CID 43727742

IUPAC3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(C1CC1)C1CC1)c1cccs1
InChIInChI=1S/C14H19NO2S/c16-13(17)8-11(12-2-1-7-18-12)15-14(9-3-4-9)10-5-6-10/h1-2,7,9-11,14-15H,3-6,8H2,(H,16,17)
InChIKeyFVLGUXIMYZBQEW-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.04
Rot. Bonds7

About 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid

3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid (PubChem CID 43727742) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
PubChem CID43727742
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(C1CC1)C1CC1)c1cccs1
InChIInChI=1S/C14H19NO2S/c16-13(17)8-11(12-2-1-7-18-12)15-14(9-3-4-9)10-5-6-10/h1-2,7,9-11,14-15H,3-6,8H2,(H,16,17)
InChIKeyFVLGUXIMYZBQEW-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutan-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43727724
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 79511809
3-[(2-amino-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61266982
3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43787522
3-[1-(azepan-2-yl)propan-2-ylamino]-3-thiophen-2-ylpropanoic acid
CID 79540847
(3S)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124700640
(3R)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124704357
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
3-(5-hydroxypentanoylamino)-3-thiophen-2-ylpropanoic acid
CID 79198684
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 65264312
3-[1-(2,4-dihydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 43727749

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid (CID 43727742) is 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(C1CC1)C1CC1)c1cccs1.
What is the InChIKey of 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid?
The InChIKey is FVLGUXIMYZBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13(17)8-11(12-2-1-7-18-12)15-14(9-3-4-9)10-5-6-10/h1-2,7,9-11,14-15H,3-6,8H2,(H,16,17).
What are the key properties of 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid?
3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid has a molecular weight of 265.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 43727742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).