2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid

C12H23NO2 — CID 67558841

IUPAC2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid
SMILESCCCCCC1CC[C@@]1(CN)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-2-3-4-5-10-6-7-12(10,9-13)8-11(14)15/h10H,2-9,13H2,1H3,(H,14,15)/t10?,12-/m0/s1
InChIKeyCHLHMAVMMKNTGC-KFJBMODSSA-N
MW213.32 g/mol
LogP2.40
Rot. Bonds7

About 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid

2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid (PubChem CID 67558841) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid
PubChem CID67558841
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid
SMILESCCCCCC1CC[C@@]1(CN)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-2-3-4-5-10-6-7-12(10,9-13)8-11(14)15/h10H,2-9,13H2,1H3,(H,14,15)/t10?,12-/m0/s1
InChIKeyCHLHMAVMMKNTGC-KFJBMODSSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid?
The IUPAC name of 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid (CID 67558841) is 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid?
The canonical SMILES for 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid is CCCCCC1CC[C@@]1(CN)CC(=O)O.
What is the InChIKey of 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid?
The InChIKey is CHLHMAVMMKNTGC-KFJBMODSSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-5-10-6-7-12(10,9-13)8-11(14)15/h10H,2-9,13H2,1H3,(H,14,15)/t10?,12-/m0/s1.
What are the key properties of 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid?
2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(aminomethyl)-2-pentylcyclobutyl]acetic acid is sourced from PubChem (CID 67558841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).