5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid

C13H23NO3 — CID 63243932

IUPAC5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
SMILESCC1CCC(CNC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-10-5-7-11(8-6-10)9-14-12(15)3-2-4-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyPOHYUOMGZNWMJO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds6

About 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid

5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid (PubChem CID 63243932) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
PubChem CID63243932
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
SMILESCC1CCC(CNC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-10-5-7-11(8-6-10)9-14-12(15)3-2-4-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyPOHYUOMGZNWMJO-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
CID 79208918
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
20-[(4-ethynylcyclohexyl)methylamino]-20-oxoicosanoic acid
CID 163439528
10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate
CID 158067661
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid
CID 90455587
20-[[4-(carboxymethylcarbamoyl)cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 148996235
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid (CID 63243932) is 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid is CC1CCC(CNC(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The InChIKey is POHYUOMGZNWMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-5-7-11(8-6-10)9-14-12(15)3-2-4-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 63243932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).