5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid

C15H23NO2S — CID 65255298

IUPAC5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCN(Cc1ccsc1)C1CC1)C(=O)O
InChIInChI=1S/C15H23NO2S/c1-15(2,14(17)18)7-3-8-16(13-4-5-13)10-12-6-9-19-11-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H,17,18)
InChIKeyDBELCBYPNAMXOM-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.60
Rot. Bonds8

About 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid

5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid (PubChem CID 65255298) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
PubChem CID65255298
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCN(Cc1ccsc1)C1CC1)C(=O)O
InChIInChI=1S/C15H23NO2S/c1-15(2,14(17)18)7-3-8-16(13-4-5-13)10-12-6-9-19-11-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H,17,18)
InChIKeyDBELCBYPNAMXOM-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
CID 55147673
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid (CID 65255298) is 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid is CC(C)(CCCN(Cc1ccsc1)C1CC1)C(=O)O.
What is the InChIKey of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid?
The InChIKey is DBELCBYPNAMXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,14(17)18)7-3-8-16(13-4-5-13)10-12-6-9-19-11-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid?
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid has a molecular weight of 281.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65255298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).