methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate

C9H17NO4 — CID 61499632

IUPACmethyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCNC(C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-4-14-8(11)5-6-10-7(2)9(12)13-3/h7,10H,4-6H2,1-3H3
InChIKeyQBIARGFWQHAJDG-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.09
Rot. Bonds6

About methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate

methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate (PubChem CID 61499632) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
PubChem CID61499632
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCNC(C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-4-14-8(11)5-6-10-7(2)9(12)13-3/h7,10H,4-6H2,1-3H3
InChIKeyQBIARGFWQHAJDG-UHFFFAOYSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate (CID 61499632) is methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate is CCOC(=O)CCNC(C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate?
The InChIKey is QBIARGFWQHAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-8(11)5-6-10-7(2)9(12)13-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate?
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate has a molecular weight of 203.24 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 61499632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).