5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid

C14H25NO3 — CID 2975036

IUPAC5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-10(2)12(14(17)18)8-9-13(16)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySEHXCOTYDLTHEY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid

5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid (PubChem CID 2975036) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
PubChem CID2975036
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-10(2)12(14(17)18)8-9-13(16)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySEHXCOTYDLTHEY-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
5-(Cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2938780
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
5-Ethyl-2-oxo-4-piperidineacetic acid
CID 195008
5-(Cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2949779
(2S)-5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2188398
(2S)-5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid
CID 7373663
2-Ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate
CID 164713771
5-(Cyclohexylamino)-5-oxopentanoic acid
CID 3359060
N-cyclohexyl-4-methylpimelamic acid
CID 129804538
5-Oxo-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 54868229

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
The IUPAC name of 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid (CID 2975036) is 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
The canonical SMILES for 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid is CC(C)C(CCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
The InChIKey is SEHXCOTYDLTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)12(14(17)18)8-9-13(16)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid?
5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-5-oxo-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 2975036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).