methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate

C8H15N3O4 — CID 61253482

IUPACmethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)CN
InChIInChI=1S/C8H15N3O4/c1-15-8(14)2-3-10-7(13)5-11-6(12)4-9/h2-5,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyRWXFKIMGPKVQDE-UHFFFAOYSA-N
MW217.22 g/mol
LogP-2.26
Rot. Bonds6

About methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate

methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate (PubChem CID 61253482) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate
PubChem CID61253482
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Namemethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)CN
InChIInChI=1S/C8H15N3O4/c1-15-8(14)2-3-10-7(13)5-11-6(12)4-9/h2-5,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyRWXFKIMGPKVQDE-UHFFFAOYSA-N
XLogP-2.26
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate (CID 61253482) is methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate is COC(=O)CCNC(=O)CNC(=O)CN.
What is the InChIKey of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
The InChIKey is RWXFKIMGPKVQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-15-8(14)2-3-10-7(13)5-11-6(12)4-9/h2-5,9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate?
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate has a molecular weight of 217.22 g/mol, XLogP of -2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 61253482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).