ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate

C10H19N3O4 — CID 62922968

IUPACethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-10(16)4-7(2)13(5-8(11)14)6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyVJLOGBROQNWUAN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.40
Rot. Bonds8

About ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate

ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate (PubChem CID 62922968) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
PubChem CID62922968
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-10(16)4-7(2)13(5-8(11)14)6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyVJLOGBROQNWUAN-UHFFFAOYSA-N
XLogP-1.40
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
diethyl 2-carbamoylbutanedioate
CID 88798137
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate?
The IUPAC name of ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate (CID 62922968) is ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate?
The canonical SMILES for ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate is CCOC(=O)CC(C)N(CC(N)=O)CC(N)=O.
What is the InChIKey of ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate?
The InChIKey is VJLOGBROQNWUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-17-10(16)4-7(2)13(5-8(11)14)6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,14)(H2,12,15).
What are the key properties of ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate?
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate has a molecular weight of 245.28 g/mol, XLogP of -1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate is sourced from PubChem (CID 62922968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).