5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid

C12H20N2O4 — CID 114108984

IUPAC5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
SMILESCCC1CC1NC(=O)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C12H20N2O4/c1-2-7-5-9(7)14-12(17)13-6-8-3-4-10(18-8)11(15)16/h7-10H,2-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyVRIVLXIDXVSJRS-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.72
Rot. Bonds5

About 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid

5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 114108984) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
PubChem CID114108984
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
SMILESCCC1CC1NC(=O)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C12H20N2O4/c1-2-7-5-9(7)14-12(17)13-6-8-3-4-10(18-8)11(15)16/h7-10H,2-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyVRIVLXIDXVSJRS-UHFFFAOYSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
5-[(2-ethylsulfinylethylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113495133
5-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113457975
5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 82938900
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
5-[(thian-2-ylmethylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 80612893
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 106038884
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid (CID 114108984) is 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid is CCC1CC1NC(=O)NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is VRIVLXIDXVSJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-7-5-9(7)14-12(17)13-6-8-3-4-10(18-8)11(15)16/h7-10H,2-6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid?
5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 114108984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).