5-(cyclohexylamino)-5-oxopentanoic acid

C11H19NO3 — CID 3359060

IUPAC5-(cyclohexylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyOGZCCTVEBCVNDK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.69
Rot. Bonds5

About 5-(cyclohexylamino)-5-oxopentanoic acid

5-(cyclohexylamino)-5-oxopentanoic acid (PubChem CID 3359060) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(cyclohexylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-5-oxopentanoic acid
PubChem CID3359060
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(cyclohexylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyOGZCCTVEBCVNDK-UHFFFAOYSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(cyclohexylamino)-5-oxopentanoic acid (CID 3359060) is 5-(cyclohexylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclohexylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclohexylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-5-oxopentanoic acid?
The InChIKey is OGZCCTVEBCVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)(H,14,15).
What are the key properties of 5-(cyclohexylamino)-5-oxopentanoic acid?
5-(cyclohexylamino)-5-oxopentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-5-oxopentanoic acid is sourced from PubChem (CID 3359060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).