diethyl 2-[(2-aminoacetyl)amino]butanedioate

C10H18N2O5 — CID 23394639

IUPACdiethyl 2-[(2-aminoacetyl)amino]butanedioate
SMILESCCOC(=O)CC(NC(=O)CN)C(=O)OCC
InChIInChI=1S/C10H18N2O5/c1-3-16-9(14)5-7(10(15)17-4-2)12-8(13)6-11/h7H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyUCUDWKZWUOUPEF-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.05
Rot. Bonds7

About diethyl 2-[(2-aminoacetyl)amino]butanedioate

diethyl 2-[(2-aminoacetyl)amino]butanedioate (PubChem CID 23394639) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is diethyl 2-[(2-aminoacetyl)amino]butanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-aminoacetyl)amino]butanedioate
PubChem CID23394639
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Namediethyl 2-[(2-aminoacetyl)amino]butanedioate
SMILESCCOC(=O)CC(NC(=O)CN)C(=O)OCC
InChIInChI=1S/C10H18N2O5/c1-3-16-9(14)5-7(10(15)17-4-2)12-8(13)6-11/h7H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyUCUDWKZWUOUPEF-UHFFFAOYSA-N
XLogP-1.05
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-aminoacetyl)amino]butanedioate?
The IUPAC name of diethyl 2-[(2-aminoacetyl)amino]butanedioate (CID 23394639) is diethyl 2-[(2-aminoacetyl)amino]butanedioate.
What is the SMILES notation for diethyl 2-[(2-aminoacetyl)amino]butanedioate?
The canonical SMILES for diethyl 2-[(2-aminoacetyl)amino]butanedioate is CCOC(=O)CC(NC(=O)CN)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-aminoacetyl)amino]butanedioate?
The InChIKey is UCUDWKZWUOUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-16-9(14)5-7(10(15)17-4-2)12-8(13)6-11/h7H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of diethyl 2-[(2-aminoacetyl)amino]butanedioate?
diethyl 2-[(2-aminoacetyl)amino]butanedioate has a molecular weight of 246.26 g/mol, XLogP of -1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-aminoacetyl)amino]butanedioate is sourced from PubChem (CID 23394639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).