ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate

C12H22N2O4 — CID 108913003

IUPACethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)NCC1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-2-18-11(15)3-6-13-12(16)14-9-10-4-7-17-8-5-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyYYNNXBRRBDGBTM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.67
Rot. Bonds6

About ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate

ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate (PubChem CID 108913003) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
PubChem CID108913003
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)NCC1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-2-18-11(15)3-6-13-12(16)14-9-10-4-7-17-8-5-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyYYNNXBRRBDGBTM-UHFFFAOYSA-N
XLogP0.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate 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

1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
CID 117234625
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
ethyl 4-(oxan-4-yloxy)-3-oxobutanoate
CID 21253091
1-(oxan-4-ylmethyl)-3-prop-2-enylurea
CID 108912891
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 3-(oxane-2-carbonylamino)propanoate
CID 62213374
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate?
The IUPAC name of ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate (CID 108913003) is ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate.
What is the SMILES notation for ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate?
The canonical SMILES for ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate is CCOC(=O)CCNC(=O)NCC1CCOCC1.
What is the InChIKey of ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate?
The InChIKey is YYNNXBRRBDGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-11(15)3-6-13-12(16)14-9-10-4-7-17-8-5-10/h10H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate?
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate has a molecular weight of 258.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate is sourced from PubChem (CID 108913003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).