3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid

C8H14N2O5 — CID 14949744

IUPAC3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
SMILESCCOC(=O)CNC(=O)NCCC(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-15-7(13)5-10-8(14)9-4-3-6(11)12/h2-5H2,1H3,(H,11,12)(H2,9,10,14)
InChIKeyOPTRDIQWZSEWLB-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.68
Rot. Bonds6

About 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid

3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid (PubChem CID 14949744) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
PubChem CID14949744
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
SMILESCCOC(=O)CNC(=O)NCCC(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-15-7(13)5-10-8(14)9-4-3-6(11)12/h2-5H2,1H3,(H,11,12)(H2,9,10,14)
InChIKeyOPTRDIQWZSEWLB-UHFFFAOYSA-N
XLogP-0.68
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
CID 60656231
ethyl 2-(2-piperidin-1-ylethylcarbamoylamino)acetate
CID 60970318

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid (CID 14949744) is 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid is CCOC(=O)CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid?
The InChIKey is OPTRDIQWZSEWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-2-15-7(13)5-10-8(14)9-4-3-6(11)12/h2-5H2,1H3,(H,11,12)(H2,9,10,14).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid?
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 14949744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).