2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

C15H21NO4S — CID 103978324

IUPAC2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(Cc1cccs1)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-20-8-7-16(10-11-4-3-9-21-11)14(17)12-5-2-6-13(12)15(18)19/h3-4,9,12-13H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyZCRPRWVMXNADTP-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.22
Rot. Bonds7

About 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978324) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978324
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(Cc1cccs1)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-20-8-7-16(10-11-4-3-9-21-11)14(17)12-5-2-6-13(12)15(18)19/h3-4,9,12-13H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyZCRPRWVMXNADTP-UHFFFAOYSA-N
XLogP2.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 64823784
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 3649570
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978387
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978324) is 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is COCCN(Cc1cccs1)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZCRPRWVMXNADTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-20-8-7-16(10-11-4-3-9-21-11)14(17)12-5-2-6-13(12)15(18)19/h3-4,9,12-13H,2,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).