1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 66258119

IUPAC1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC1COCC1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-2-14-10-8-19-7-9(10)11(16)15-13(12(17)18)5-3-4-6-13/h9-10,14H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyJLQGNFVFASOXOW-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.12
Rot. Bonds5

About 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66258119) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66258119
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC1COCC1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-2-14-10-8-19-7-9(10)11(16)15-13(12(17)18)5-3-4-6-13/h9-10,14H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyJLQGNFVFASOXOW-UHFFFAOYSA-N
XLogP0.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 66258119) is 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid is CCNC1COCC1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JLQGNFVFASOXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-14-10-8-19-7-9(10)11(16)15-13(12(17)18)5-3-4-6-13/h9-10,14H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66258119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).