ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate

C14H24N2O4 — CID 62027423

IUPACethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)NCC1CCCO1)C1CC1
InChIInChI=1S/C14H24N2O4/c1-2-19-14(18)10-16(11-5-6-11)9-13(17)15-8-12-4-3-7-20-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyCBNKXEXKVOCMGJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.31
Rot. Bonds8

About ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate

ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate (PubChem CID 62027423) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
PubChem CID62027423
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)NCC1CCCO1)C1CC1
InChIInChI=1S/C14H24N2O4/c1-2-19-14(18)10-16(11-5-6-11)9-13(17)15-8-12-4-3-7-20-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyCBNKXEXKVOCMGJ-UHFFFAOYSA-N
XLogP0.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(pyrrolidin-3-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 63299858
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916
ethyl 4-[methyl(oxolan-2-ylmethyl)amino]-3-oxobutanoate
CID 63897751
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
CID 63646322
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60504402
2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129421269
2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113166068
ethyl 4-[[N'-methyl-N-(oxolan-2-ylmethyl)carbamimidoyl]amino]butanoate;hydroiodide
CID 111139440
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate (CID 62027423) is ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate is CCOC(=O)CN(CC(=O)NCC1CCCO1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate?
The InChIKey is CBNKXEXKVOCMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-19-14(18)10-16(11-5-6-11)9-13(17)15-8-12-4-3-7-20-12/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate has a molecular weight of 284.36 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate is sourced from PubChem (CID 62027423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).