2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid

C10H17NO4 — CID 103555486

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid
SMILESCOC1(CC(=O)N(C)CC(=O)O)CCC1
InChIInChI=1S/C10H17NO4/c1-11(7-9(13)14)8(12)6-10(15-2)4-3-5-10/h3-7H2,1-2H3,(H,13,14)
InChIKeyDGCRZGSJRYKEGH-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds5

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

2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid (PubChem CID 103555486) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid
PubChem CID103555486
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid
SMILESCOC1(CC(=O)N(C)CC(=O)O)CCC1
InChIInChI=1S/C10H17NO4/c1-11(7-9(13)14)8(12)6-10(15-2)4-3-5-10/h3-7H2,1-2H3,(H,13,14)
InChIKeyDGCRZGSJRYKEGH-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid (CID 103555486) is 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid is COC1(CC(=O)N(C)CC(=O)O)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid?
The InChIKey is DGCRZGSJRYKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-11(7-9(13)14)8(12)6-10(15-2)4-3-5-10/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid?
2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 103555486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).