1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate

C11H19NO6 — CID 129308263

IUPAC1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate
SMILESCCCOC(=O)CC(NC(=O)CO)C(=O)OCC
InChIInChI=1S/C11H19NO6/c1-3-5-18-10(15)6-8(11(16)17-4-2)12-9(14)7-13/h8,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyMVOUOBHCMRDLDN-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.63
Rot. Bonds8

About 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate

1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate (PubChem CID 129308263) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate
PubChem CID129308263
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate
SMILESCCCOC(=O)CC(NC(=O)CO)C(=O)OCC
InChIInChI=1S/C11H19NO6/c1-3-5-18-10(15)6-8(11(16)17-4-2)12-9(14)7-13/h8,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyMVOUOBHCMRDLDN-UHFFFAOYSA-N
XLogP-0.63
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-[(2-chloroacetyl)amino]butanedioate
CID 78069321
diethyl 2-(hexadecanoylamino)butanedioate
CID 22610319
diethyl (2S)-2-[[(3S)-3-amino-4-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoyl]amino]butanedioate
CID 101451173
diethyl 2-(4-acetyloxybutanoylamino)butanedioate
CID 58975704
diethyl (2S)-2-(2-methylpropanoylamino)butanedioate
CID 59038083
didocosyl (2S)-2-(tetradecanoylamino)butanedioate
CID 141249623
4-O-dodecyl 1-O-octyl (2S)-2-(dodecanoylamino)butanedioate
CID 141442564
4-[[(2S)-1,4-dioctadecoxy-1,4-dioxobutan-2-yl]amino]-2-methylidene-4-oxobutanoic acid
CID 100943063
2-[[(2S)-1,4-didodecoxy-1,4-dioxobutan-2-yl]amino]-2-oxoethanesulfonic acid
CID 101219697
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
1-O-ethyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 171364156
ethane;ethyl (2R)-2-(propanoylamino)-3-sulfanylpropanoate
CID 145330835

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate?
The IUPAC name of 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate (CID 129308263) is 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate?
The canonical SMILES for 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate is CCCOC(=O)CC(NC(=O)CO)C(=O)OCC.
What is the InChIKey of 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate?
The InChIKey is MVOUOBHCMRDLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-3-5-18-10(15)6-8(11(16)17-4-2)12-9(14)7-13/h8,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate?
1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate has a molecular weight of 261.27 g/mol, XLogP of -0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-propyl 2-[(2-hydroxyacetyl)amino]butanedioate is sourced from PubChem (CID 129308263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).