2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid

C11H21NO2 — CID 142945921

IUPAC2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid
SMILESCCC(C)C1CC(CN)(CC(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-8(2)9-4-11(5-9,7-12)6-10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyIJIGBTDCBDABLP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid

2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid (PubChem CID 142945921) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid
PubChem CID142945921
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid
SMILESCCC(C)C1CC(CN)(CC(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-8(2)9-4-11(5-9,7-12)6-10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyIJIGBTDCBDABLP-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,4S)-1-(aminomethyl)-3,4-diethylcyclopentyl]acetic acid
CID 46886675
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 11557357
2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid
CID 106824653
2-[(1R,3S,4S)-1-(aminomethyl)-3-tert-butyl-4-propan-2-ylcyclopentyl]acetic acid
CID 20598246
2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
CID 20598308
2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid
CID 20598285
2-[(3S,4R)-1-(aminomethyl)-3,4-dibenzylcyclopentyl]acetic acid
CID 69444578
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
CID 20598255
2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid;(3S,5R)-3-(aminomethyl)-5-methyloctanoic acid
CID 157157285
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
CID 103565425

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid (CID 142945921) is 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid is CCC(C)C1CC(CN)(CC(=O)O)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid?
The InChIKey is IJIGBTDCBDABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8(2)9-4-11(5-9,7-12)6-10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid?
2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid is sourced from PubChem (CID 142945921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).