methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate

C10H18N2O4 — CID 142090702

IUPACmethyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate
SMILESCCC(C(=O)OC)N(CC)C(=O)CNC=O
InChIInChI=1S/C10H18N2O4/c1-4-8(10(15)16-3)12(5-2)9(14)6-11-7-13/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyAMZDSXZYMMKWPS-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.47
Rot. Bonds7

About methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate

methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate (PubChem CID 142090702) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate
PubChem CID142090702
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate
SMILESCCC(C(=O)OC)N(CC)C(=O)CNC=O
InChIInChI=1S/C10H18N2O4/c1-4-8(10(15)16-3)12(5-2)9(14)6-11-7-13/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyAMZDSXZYMMKWPS-UHFFFAOYSA-N
XLogP-0.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate?
The IUPAC name of methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate (CID 142090702) is methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate.
What is the SMILES notation for methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate?
The canonical SMILES for methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate is CCC(C(=O)OC)N(CC)C(=O)CNC=O.
What is the InChIKey of methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate?
The InChIKey is AMZDSXZYMMKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-8(10(15)16-3)12(5-2)9(14)6-11-7-13/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate?
methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate has a molecular weight of 230.26 g/mol, XLogP of -0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate is sourced from PubChem (CID 142090702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).