1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid

C12H19NO5 — CID 43351037

IUPAC1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19NO5/c1-2-18-10(15)6-5-9(14)13-12(11(16)17)7-3-4-8-12/h2-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyREMQRIVWDFKPHD-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.84
Rot. Bonds6

About 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid

1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351037) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351037
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19NO5/c1-2-18-10(15)6-5-9(14)13-12(11(16)17)7-3-4-8-12/h2-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyREMQRIVWDFKPHD-UHFFFAOYSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Acetamidocyclopentane-1-carboxylic acid
CID 229296
1-[(Methoxycarbonyl)amino]cyclopentane-1-carboxylic acid
CID 229297
Ethyl 1-acetamidocyclopentane-1-carboxylate
CID 301028
1-[(3-Carboxy-2-methyl-1-oxopropyl)amino]cyclopentanecarboxylic acid
CID 13376661
1-(Pentanoylamino)cyclopentane-1-carboxylic acid
CID 16726891
1-(Butoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 18504225
1-Ethoxycarbonylamino-1-carboxycyclopentane
CID 19748084
1-[(4-Methoxy-2-methyl-1,4-dioxobutyl)amino]cyclopentanecarboxylic acid
CID 20438944
1-(2,2-Dimethylpropanoylamino)cyclopentane-1-carboxylic acid
CID 20627808
1-(4-Methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 20739704
1-[(3-Methoxy-1-oxopropyl)amino]cyclopentanecarboxylic acid
CID 22574849
Ethyl 1-(pentanoylamino)cyclopentane-1-carboxylate
CID 23569448

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid (CID 43351037) is 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid is CCOC(=O)CCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is REMQRIVWDFKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-2-18-10(15)6-5-9(14)13-12(11(16)17)7-3-4-8-12/h2-8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).