2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid

C12H23NO3 — CID 107708251

IUPAC2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
SMILESNCC(CCCCCCO)(C(=O)O)C1CC1
InChIInChI=1S/C12H23NO3/c13-9-12(11(15)16,10-5-6-10)7-3-1-2-4-8-14/h10,14H,1-9,13H2,(H,15,16)
InChIKeyABTKBYIYCPXTCU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.37
Rot. Bonds9

About 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid

2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid (PubChem CID 107708251) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
PubChem CID107708251
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
SMILESNCC(CCCCCCO)(C(=O)O)C1CC1
InChIInChI=1S/C12H23NO3/c13-9-12(11(15)16,10-5-6-10)7-3-1-2-4-8-14/h10,14H,1-9,13H2,(H,15,16)
InChIKeyABTKBYIYCPXTCU-UHFFFAOYSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
CID 106489638
2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
CID 106489665
2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
CID 106489655
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
CID 106489741
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
2-cyclohexyl-2-hexylhexanedioic acid
CID 66598737
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
2-carbamoyl-8-hydroxy-2-methyloctanoic acid
CID 107708146
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid (CID 107708251) is 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid is NCC(CCCCCCO)(C(=O)O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid?
The InChIKey is ABTKBYIYCPXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c13-9-12(11(15)16,10-5-6-10)7-3-1-2-4-8-14/h10,14H,1-9,13H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid?
2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid is sourced from PubChem (CID 107708251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).