methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate

C7H13N3O4 — CID 62921537

IUPACmethyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H13N3O4/c1-14-7(13)4-10(2-5(8)11)3-6(9)12/h2-4H2,1H3,(H2,8,11)(H2,9,12)
InChIKeyKPHDXJZXZXKKFM-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.57
Rot. Bonds6

About methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate

methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate (PubChem CID 62921537) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
PubChem CID62921537
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Namemethyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H13N3O4/c1-14-7(13)4-10(2-5(8)11)3-6(9)12/h2-4H2,1H3,(H2,8,11)(H2,9,12)
InChIKeyKPHDXJZXZXKKFM-UHFFFAOYSA-N
XLogP-2.57
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 158824868
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
2-[(2-amino-2-oxoethyl)-(2-oxobutyl)amino]acetamide
CID 62922447
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate (CID 62921537) is methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate is COC(=O)CN(CC(N)=O)CC(N)=O.
What is the InChIKey of methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate?
The InChIKey is KPHDXJZXZXKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-14-7(13)4-10(2-5(8)11)3-6(9)12/h2-4H2,1H3,(H2,8,11)(H2,9,12).
What are the key properties of methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate?
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate has a molecular weight of 203.20 g/mol, XLogP of -2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).