2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid

C11H21NO2 — CID 142863008

IUPAC2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid
SMILESCCCC[C@@H]1CC[C@]1(CN)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-2-3-4-9-5-6-11(9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyGTXHZOXHQHEERQ-MWLCHTKSSA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds6

About 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid

2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid (PubChem CID 142863008) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid
PubChem CID142863008
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid
SMILESCCCC[C@@H]1CC[C@]1(CN)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-2-3-4-9-5-6-11(9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyGTXHZOXHQHEERQ-MWLCHTKSSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
CID 57289063
2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 68534251
2-[(1R,2R,5R)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 68530353
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid
CID 20598296
2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
2-[(1S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 89366528
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198
2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
CID 145337620

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid?
The IUPAC name of 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid (CID 142863008) is 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid?
The canonical SMILES for 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid is CCCC[C@@H]1CC[C@]1(CN)CC(=O)O.
What is the InChIKey of 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid?
The InChIKey is GTXHZOXHQHEERQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-9-5-6-11(9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11-/m1/s1.
What are the key properties of 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid?
2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-(aminomethyl)-2-butylcyclobutyl]acetic acid is sourced from PubChem (CID 142863008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).