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

C12H20N2O4 — CID 66266226

IUPAC1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNC1COCC1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-13-9-7-18-6-8(9)10(15)14-12(11(16)17)4-2-3-5-12/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyGDGXXNNVZBMVJQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.27
Rot. Bonds4

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

1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66266226) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66266226
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNC1COCC1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-13-9-7-18-6-8(9)10(15)14-12(11(16)17)4-2-3-5-12/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyGDGXXNNVZBMVJQ-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 66266226) is 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid is CNC1COCC1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GDGXXNNVZBMVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13-9-7-18-6-8(9)10(15)14-12(11(16)17)4-2-3-5-12/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66266226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).