3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H20N2O3S — CID 106005432

IUPAC3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1ccc(CNC(=O)NC2CCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-11-5-6-12(20-11)8-15-14(19)16-10-4-3-9(7-10)13(17)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyQWFPQRNOHVHVTN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.36
Rot. Bonds5

About 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106005432) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106005432
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1ccc(CNC(=O)NC2CCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-11-5-6-12(20-11)8-15-14(19)16-10-4-3-9(7-10)13(17)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyQWFPQRNOHVHVTN-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methylamino]cyclopentane-1-carboxylic acid
CID 178174462
1-(Thiophen-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 18072402
1-[(5-Ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 24702112
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 28369500
(2R)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 28369502
2-[(5-Ethylthiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 43185074
1-(1-Thiophen-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43534483
4-[1-(5-Methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 54953605
4-(1-Thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 54964035
6-[(5-Methylthiophen-2-yl)methylcarbamoylamino]hexanoic acid
CID 55029580
(2S,3S)-3-methyl-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 55029626
(2R)-4-methyl-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 55029627

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 106005432) is 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CCc1ccc(CNC(=O)NC2CCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QWFPQRNOHVHVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-11-5-6-12(20-11)8-15-14(19)16-10-4-3-9(7-10)13(17)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106005432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).