5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid

C14H25NO3 — CID 54962890

IUPAC5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
SMILESCCCC1CCC(NC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-2-4-11-7-9-12(10-8-11)15-13(16)5-3-6-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyGVRMQTMKNIAIDI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid

5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid (PubChem CID 54962890) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
PubChem CID54962890
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
SMILESCCCC1CCC(NC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-2-4-11-7-9-12(10-8-11)15-13(16)5-3-6-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyGVRMQTMKNIAIDI-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-[(4-propylcyclohexyl)amino]but-2-enoic acid
CID 54962888
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
2-(tert-butylamino)-N-(4-propylcyclohexyl)acetamide
CID 78986680
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 116817249
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532
N,N'-dicyclopropyldecanediamide
CID 4668836
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid (CID 54962890) is 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid is CCCC1CCC(NC(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid?
The InChIKey is GVRMQTMKNIAIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-4-11-7-9-12(10-8-11)15-13(16)5-3-6-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid?
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 54962890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).