5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid

C12H21NO3 — CID 2949779

IUPAC5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyORHBRNGIQYZQRP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds5

About 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid

5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid (PubChem CID 2949779) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
PubChem CID2949779
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyORHBRNGIQYZQRP-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid (CID 2949779) is 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid is CC(CCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
The InChIKey is ORHBRNGIQYZQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid?
5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid is sourced from PubChem (CID 2949779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).