4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid

C12H17NO2S — CID 61448812

IUPAC4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
SMILESO=C(O)CCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c14-12(15)4-1-7-13(10-5-6-10)9-11-3-2-8-16-11/h2-3,8,10H,1,4-7,9H2,(H,14,15)
InChIKeyJHCOPZOALACVLD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.58
Rot. Bonds7

About 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid

4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid (PubChem CID 61448812) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
PubChem CID61448812
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
SMILESO=C(O)CCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c14-12(15)4-1-7-13(10-5-6-10)9-11-3-2-8-16-11/h2-3,8,10H,1,4-7,9H2,(H,14,15)
InChIKeyJHCOPZOALACVLD-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47054834

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid (CID 61448812) is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid is O=C(O)CCCN(Cc1cccs1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid?
The InChIKey is JHCOPZOALACVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(15)4-1-7-13(10-5-6-10)9-11-3-2-8-16-11/h2-3,8,10H,1,4-7,9H2,(H,14,15).
What are the key properties of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid?
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid has a molecular weight of 239.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 61448812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).