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

C11H19NO2 — CID 103565060

IUPAC2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C11H19NO2/c1-8-4-10(5-8)12(7-11(13)14)6-9-2-3-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyVZHVXQYFLDRWJK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds5

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

2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid (PubChem CID 103565060) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
PubChem CID103565060
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C11H19NO2/c1-8-4-10(5-8)12(7-11(13)14)6-9-2-3-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyVZHVXQYFLDRWJK-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid (CID 103565060) is 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid is CC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid?
The InChIKey is VZHVXQYFLDRWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-4-10(5-8)12(7-11(13)14)6-9-2-3-9/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid?
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid is sourced from PubChem (CID 103565060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).