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

C10H19N3O4 — CID 62922969

IUPACethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-10(16)7(2)4-13(5-8(11)14)6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyXRXGZNHDUAKXEB-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.54
Rot. Bonds8

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

ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate (PubChem CID 62922969) 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]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
PubChem CID62922969
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-10(16)7(2)4-13(5-8(11)14)6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyXRXGZNHDUAKXEB-UHFFFAOYSA-N
XLogP-1.54
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 ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
2-[(2-amino-2-hydroxyethyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 134250575
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
2-[(2-amino-2-oxoethyl)-(2,2-dimethoxyethyl)amino]acetamide
CID 66222350
ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552494
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112674000
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate (CID 62922969) is ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CN(CC(N)=O)CC(N)=O.
What is the InChIKey of ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate?
The InChIKey is XRXGZNHDUAKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-17-10(16)7(2)4-13(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]-2-methylpropanoate?
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate has a molecular weight of 245.28 g/mol, XLogP of -1.54, 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]-2-methylpropanoate is sourced from PubChem (CID 62922969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).