2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid

C13H25NO3 — CID 106940273

IUPAC2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid
SMILESCCCC(OCC1CCCCC1CN)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-5-12(13(15)16)17-9-11-7-4-3-6-10(11)8-14/h10-12H,2-9,14H2,1H3,(H,15,16)
InChIKeyHCWQTPJPGSCPDC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.02
Rot. Bonds7

About 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid

2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid (PubChem CID 106940273) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid
PubChem CID106940273
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid
SMILESCCCC(OCC1CCCCC1CN)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-5-12(13(15)16)17-9-11-7-4-3-6-10(11)8-14/h10-12H,2-9,14H2,1H3,(H,15,16)
InChIKeyHCWQTPJPGSCPDC-UHFFFAOYSA-N
XLogP2.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid (CID 106940273) is 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid is CCCC(OCC1CCCCC1CN)C(=O)O.
What is the InChIKey of 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid?
The InChIKey is HCWQTPJPGSCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-5-12(13(15)16)17-9-11-7-4-3-6-10(11)8-14/h10-12H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid?
2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclohexyl]methoxy]pentanoic acid is sourced from PubChem (CID 106940273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).