methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate

C9H16N2O5 — CID 71941881

IUPACmethyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate
SMILESCCOC(=O)NCCC(=O)NCC(=O)OC
InChIInChI=1S/C9H16N2O5/c1-3-16-9(14)10-5-4-7(12)11-6-8(13)15-2/h3-6H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyAJYVMJCVRQZHEK-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.59
Rot. Bonds6

About methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate

methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate (PubChem CID 71941881) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate
PubChem CID71941881
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Namemethyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate
SMILESCCOC(=O)NCCC(=O)NCC(=O)OC
InChIInChI=1S/C9H16N2O5/c1-3-16-9(14)10-5-4-7(12)11-6-8(13)15-2/h3-6H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyAJYVMJCVRQZHEK-UHFFFAOYSA-N
XLogP-0.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
ethyl N-propylcarbamate
CID 12199
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
ethyl N-[(E)-pent-3-enyl]carbamate
CID 115628418
ethyl 2-(pentanoylamino)acetate
CID 4279931
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate (CID 71941881) is methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate is CCOC(=O)NCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate?
The InChIKey is AJYVMJCVRQZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-3-16-9(14)10-5-4-7(12)11-6-8(13)15-2/h3-6H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate?
methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate has a molecular weight of 232.24 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate is sourced from PubChem (CID 71941881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).