4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid

C12H21NO4 — CID 103555513

IUPAC4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid
SMILESCOC1(CC(=O)N(C)CCCC(=O)O)CCC1
InChIInChI=1S/C12H21NO4/c1-13(8-3-5-11(15)16)10(14)9-12(17-2)6-4-7-12/h3-9H2,1-2H3,(H,15,16)
InChIKeyYRSYYSSCDZDIJK-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds7

About 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid

4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid (PubChem CID 103555513) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid
PubChem CID103555513
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid
SMILESCOC1(CC(=O)N(C)CCCC(=O)O)CCC1
InChIInChI=1S/C12H21NO4/c1-13(8-3-5-11(15)16)10(14)9-12(17-2)6-4-7-12/h3-9H2,1-2H3,(H,15,16)
InChIKeyYRSYYSSCDZDIJK-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid (CID 103555513) is 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid is COC1(CC(=O)N(C)CCCC(=O)O)CCC1.
What is the InChIKey of 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid?
The InChIKey is YRSYYSSCDZDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(8-3-5-11(15)16)10(14)9-12(17-2)6-4-7-12/h3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid?
4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 103555513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).