2-(aminomethyl)-2-cycloheptylpentanoic acid

C13H25NO2 — CID 106488140

IUPAC2-(aminomethyl)-2-cycloheptylpentanoic acid
SMILESCCCC(CN)(C(=O)O)C1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-2-9-13(10-14,12(15)16)11-7-5-3-4-6-8-11/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeyIKWDAAIQNVOWDM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.79
Rot. Bonds5

About 2-(aminomethyl)-2-cycloheptylpentanoic acid

2-(aminomethyl)-2-cycloheptylpentanoic acid (PubChem CID 106488140) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cycloheptylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cycloheptylpentanoic acid
PubChem CID106488140
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(aminomethyl)-2-cycloheptylpentanoic acid
SMILESCCCC(CN)(C(=O)O)C1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-2-9-13(10-14,12(15)16)11-7-5-3-4-6-8-11/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeyIKWDAAIQNVOWDM-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-cyclohexyl-2-hexylhexanedioic acid
CID 66598737
2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
CID 107708251
2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
CID 106489655
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
2-cyclohexyl-2-sulfanylbutanoic acid
CID 174351783
2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
CID 106489741
2-cyclohexyl-2-dipropylsilylbutanoic acid
CID 152592863
4-cycloheptylheptan-4-ol
CID 114866126
2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
CID 70926166

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cycloheptylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cycloheptylpentanoic acid (CID 106488140) is 2-(aminomethyl)-2-cycloheptylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cycloheptylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cycloheptylpentanoic acid is CCCC(CN)(C(=O)O)C1CCCCCC1.
What is the InChIKey of 2-(aminomethyl)-2-cycloheptylpentanoic acid?
The InChIKey is IKWDAAIQNVOWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-9-13(10-14,12(15)16)11-7-5-3-4-6-8-11/h11H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-cycloheptylpentanoic acid?
2-(aminomethyl)-2-cycloheptylpentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cycloheptylpentanoic acid is sourced from PubChem (CID 106488140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).