methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate

C8H14N2O4 — CID 135036818

IUPACmethyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate
SMILES[3H]CC(=O)N(CCNC=O)CC(=O)OC
InChIInChI=1S/C8H14N2O4/c1-7(12)10(4-3-9-6-11)5-8(13)14-2/h6H,3-5H2,1-2H3,(H,9,11)/i1T
InChIKeyHZNKUSWOIKADIL-CNRUNOGKSA-N
MW204.22 g/mol
LogP-1.25
Rot. Bonds7

About methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate

methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate (PubChem CID 135036818) has the molecular formula C8H14N2O4 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate
PubChem CID135036818
Molecular FormulaC8H14N2O4
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namemethyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate
SMILES[3H]CC(=O)N(CCNC=O)CC(=O)OC
InChIInChI=1S/C8H14N2O4/c1-7(12)10(4-3-9-6-11)5-8(13)14-2/h6H,3-5H2,1-2H3,(H,9,11)/i1T
InChIKeyHZNKUSWOIKADIL-CNRUNOGKSA-N
XLogP-1.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N,N-bis(2-formamidoethyl)carbamate
CID 89335039
methyl 3-[2-formamidoethyl(2-nitrosoethyl)amino]propanoate
CID 134270755
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
methyl 3-formamidopropanoate;methyl propanoate
CID 145171236
2-[2-formamidoethyl(methyl)amino]acetic acid
CID 118297504
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953627
2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
CID 118297525
N-[4-[formyl(methoxy)amino]butyl]formamide
CID 87925198
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[formyl(methoxycarbonyl)amino]acetate
CID 166484365
N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide
CID 18475247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate?
The IUPAC name of methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate (CID 135036818) is methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate?
The canonical SMILES for methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate is [3H]CC(=O)N(CCNC=O)CC(=O)OC.
What is the InChIKey of methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate?
The InChIKey is HZNKUSWOIKADIL-CNRUNOGKSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-7(12)10(4-3-9-6-11)5-8(13)14-2/h6H,3-5H2,1-2H3,(H,9,11)/i1T.
What are the key properties of methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate?
methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate has a molecular weight of 204.22 g/mol, XLogP of -1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-formamidoethyl-(2-tritioacetyl)amino]acetate is sourced from PubChem (CID 135036818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).