2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid

C14H22N2O4S — CID 79270902

IUPAC2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C14H22N2O4S/c1-10(2)13(11-5-4-8-21-11)15-14(19)16(6-7-20-3)9-12(17)18/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWNENJSRRFKDLFN-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.19
Rot. Bonds8

About 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid (PubChem CID 79270902) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
PubChem CID79270902
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C14H22N2O4S/c1-10(2)13(11-5-4-8-21-11)15-14(19)16(6-7-20-3)9-12(17)18/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWNENJSRRFKDLFN-UHFFFAOYSA-N
XLogP2.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65067405
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 103339786
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid (CID 79270902) is 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is WNENJSRRFKDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)13(11-5-4-8-21-11)15-14(19)16(6-7-20-3)9-12(17)18/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 314.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79270902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).