2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid

C14H25NO2 — CID 82933637

IUPAC2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC2CCCC2)CCCCC1
InChIInChI=1S/C14H25NO2/c16-13(17)10-14(8-4-1-5-9-14)11-15-12-6-2-3-7-12/h12,15H,1-11H2,(H,16,17)
InChIKeyDGHKDOOPRKOYRQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid

2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid (PubChem CID 82933637) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid
PubChem CID82933637
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC2CCCC2)CCCCC1
InChIInChI=1S/C14H25NO2/c16-13(17)10-14(8-4-1-5-9-14)11-15-12-6-2-3-7-12/h12,15H,1-11H2,(H,16,17)
InChIKeyDGHKDOOPRKOYRQ-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid (CID 82933637) is 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid is O=C(O)CC1(CNC2CCCC2)CCCCC1.
What is the InChIKey of 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is DGHKDOOPRKOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13(17)10-14(8-4-1-5-9-14)11-15-12-6-2-3-7-12/h12,15H,1-11H2,(H,16,17).
What are the key properties of 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(cyclopentylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 82933637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).