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

C7H12N2O4 — CID 127519438

IUPACmethyl 3-[(2-formamidoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC=O
InChIInChI=1S/C7H12N2O4/c1-13-7(12)2-3-9-6(11)4-8-5-10/h5H,2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyYZOKMASPHXEWOR-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.59
Rot. Bonds6

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

methyl 3-[(2-formamidoacetyl)amino]propanoate (PubChem CID 127519438) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl 3-[(2-formamidoacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-formamidoacetyl)amino]propanoate
PubChem CID127519438
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Namemethyl 3-[(2-formamidoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC=O
InChIInChI=1S/C7H12N2O4/c1-13-7(12)2-3-9-6(11)4-8-5-10/h5H,2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyYZOKMASPHXEWOR-UHFFFAOYSA-N
XLogP-1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formamido-N-[2-(methylamino)ethyl]acetamide
CID 144693506
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
methyl 3-formamidopropanoate;methyl propanoate
CID 145171236
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
2-formamido-N-[2-(methoxymethylamino)-2-oxoethyl]acetamide
CID 170751982
N-ethyl-2-formamidoacetamide
CID 14481878
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-formamidoacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-formamidoacetyl)amino]propanoate (CID 127519438) is methyl 3-[(2-formamidoacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-formamidoacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-formamidoacetyl)amino]propanoate is COC(=O)CCNC(=O)CNC=O.
What is the InChIKey of methyl 3-[(2-formamidoacetyl)amino]propanoate?
The InChIKey is YZOKMASPHXEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-13-7(12)2-3-9-6(11)4-8-5-10/h5H,2-4H2,1H3,(H,8,10)(H,9,11).
What are the key properties of methyl 3-[(2-formamidoacetyl)amino]propanoate?
methyl 3-[(2-formamidoacetyl)amino]propanoate has a molecular weight of 188.18 g/mol, XLogP of -1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-formamidoacetyl)amino]propanoate is sourced from PubChem (CID 127519438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).