methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate

C11H20N2O5 — CID 14949741

IUPACmethyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate
SMILESCOC(=O)CCCNC(=O)NCCCC(=O)OC
InChIInChI=1S/C11H20N2O5/c1-17-9(14)5-3-7-12-11(16)13-8-4-6-10(15)18-2/h3-8H2,1-2H3,(H2,12,13,16)
InChIKeyBFWIHWNYHQQKPS-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.19
Rot. Bonds8

About methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate

methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate (PubChem CID 14949741) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate
PubChem CID14949741
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate
SMILESCOC(=O)CCCNC(=O)NCCCC(=O)OC
InChIInChI=1S/C11H20N2O5/c1-17-9(14)5-3-7-12-11(16)13-8-4-6-10(15)18-2/h3-8H2,1-2H3,(H2,12,13,16)
InChIKeyBFWIHWNYHQQKPS-UHFFFAOYSA-N
XLogP0.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate?
The IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate (CID 14949741) is methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate.
What is the SMILES notation for methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate?
The canonical SMILES for methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate is COC(=O)CCCNC(=O)NCCCC(=O)OC.
What is the InChIKey of methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate?
The InChIKey is BFWIHWNYHQQKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-17-9(14)5-3-7-12-11(16)13-8-4-6-10(15)18-2/h3-8H2,1-2H3,(H2,12,13,16).
What are the key properties of methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate?
methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate has a molecular weight of 260.29 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxy-4-oxobutyl)carbamoylamino]butanoate is sourced from PubChem (CID 14949741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).