3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid

C15H19NO3S — CID 91660012

IUPAC3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccsc1C1CC1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H19NO3S/c1-8-4-5-20-13(8)11-7-12(11)14(17)16-10-3-2-9(6-10)15(18)19/h4-5,9-12H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyWRYOTLZBNSOTEU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.53
Rot. Bonds4

About 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 91660012) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID91660012
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccsc1C1CC1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H19NO3S/c1-8-4-5-20-13(8)11-7-12(11)14(17)16-10-3-2-9(6-10)15(18)19/h4-5,9-12H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyWRYOTLZBNSOTEU-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 124612232
2-(3-methylthiophen-2-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020585
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124731893
(3R,4R)-4-cyclopropyl-1-[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978322
cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
CID 139011850
trans-(1R,2R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124777197
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 91660012) is 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccsc1C1CC1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WRYOTLZBNSOTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-8-4-5-20-13(8)11-7-12(11)14(17)16-10-3-2-9(6-10)15(18)19/h4-5,9-12H,2-3,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 91660012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).