5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid

C13H25NO3 — CID 103263075

IUPAC5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
SMILESO=C(O)CCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO3/c15-11-13(7-3-1-4-8-13)10-14-9-5-2-6-12(16)17/h14-15H,1-11H2,(H,16,17)
InChIKeyXQGCANLGOYGQJU-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.77
Rot. Bonds8

About 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid

5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid (PubChem CID 103263075) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
PubChem CID103263075
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
SMILESO=C(O)CCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO3/c15-11-13(7-3-1-4-8-13)10-14-9-5-2-6-12(16)17/h14-15H,1-11H2,(H,16,17)
InChIKeyXQGCANLGOYGQJU-UHFFFAOYSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]butanoic acid
CID 114756436
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
The IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid (CID 103263075) is 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid.
What is the SMILES notation for 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
The canonical SMILES for 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid is O=C(O)CCCCNCC1(CO)CCCCC1.
What is the InChIKey of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
The InChIKey is XQGCANLGOYGQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c15-11-13(7-3-1-4-8-13)10-14-9-5-2-6-12(16)17/h14-15H,1-11H2,(H,16,17).
What are the key properties of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid is sourced from PubChem (CID 103263075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).