2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid

C11H19NO3 — CID 106824276

IUPAC2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
SMILESCOC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C11H19NO3/c1-15-10-4-9(5-10)12(7-11(13)14)6-8-2-3-8/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyCBVKJHIYITXLFZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds6

About 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid

2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid (PubChem CID 106824276) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
PubChem CID106824276
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
SMILESCOC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C11H19NO3/c1-15-10-4-9(5-10)12(7-11(13)14)6-8-2-3-8/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyCBVKJHIYITXLFZ-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid (CID 106824276) is 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid is COC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid?
The InChIKey is CBVKJHIYITXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-10-4-9(5-10)12(7-11(13)14)6-8-2-3-8/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid?
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid is sourced from PubChem (CID 106824276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).