4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid

C10H18N2O5 — CID 43151917

IUPAC4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid
SMILESCOC(=O)CN(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-11(6-4-5-8(13)14)10(16)12(2)7-9(15)17-3/h4-7H2,1-3H3,(H,13,14)
InChIKeyWOCSEIDBGSPXGM-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.01
Rot. Bonds6

About 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid

4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid (PubChem CID 43151917) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid
PubChem CID43151917
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid
SMILESCOC(=O)CN(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-11(6-4-5-8(13)14)10(16)12(2)7-9(15)17-3/h4-7H2,1-3H3,(H,13,14)
InChIKeyWOCSEIDBGSPXGM-UHFFFAOYSA-N
XLogP0.01
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid (CID 43151917) is 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid is COC(=O)CN(C)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid?
The InChIKey is WOCSEIDBGSPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-11(6-4-5-8(13)14)10(16)12(2)7-9(15)17-3/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid?
4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 43151917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).