methyl 3-[(2-acetamidoacetyl)amino]propanoate

C8H14N2O4 — CID 60637048

IUPACmethyl 3-[(2-acetamidoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(C)=O
InChIInChI=1S/C8H14N2O4/c1-6(11)10-5-7(12)9-4-3-8(13)14-2/h3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyFTCKSGSRNBTRDN-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.20
Rot. Bonds5

About methyl 3-[(2-acetamidoacetyl)amino]propanoate

methyl 3-[(2-acetamidoacetyl)amino]propanoate (PubChem CID 60637048) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-[(2-acetamidoacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-acetamidoacetyl)amino]propanoate
PubChem CID60637048
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 3-[(2-acetamidoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(C)=O
InChIInChI=1S/C8H14N2O4/c1-6(11)10-5-7(12)9-4-3-8(13)14-2/h3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyFTCKSGSRNBTRDN-UHFFFAOYSA-N
XLogP-1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-acetamidoacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-acetamidoacetyl)amino]propanoate (CID 60637048) is methyl 3-[(2-acetamidoacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-acetamidoacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-acetamidoacetyl)amino]propanoate is COC(=O)CCNC(=O)CNC(C)=O.
What is the InChIKey of methyl 3-[(2-acetamidoacetyl)amino]propanoate?
The InChIKey is FTCKSGSRNBTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-6(11)10-5-7(12)9-4-3-8(13)14-2/h3-5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of methyl 3-[(2-acetamidoacetyl)amino]propanoate?
methyl 3-[(2-acetamidoacetyl)amino]propanoate has a molecular weight of 202.21 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-acetamidoacetyl)amino]propanoate is sourced from PubChem (CID 60637048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).