5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid

C13H25NO3 — CID 103255247

IUPAC5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
SMILESO=C(O)CCCCNCC1CCCCC1CO
InChIInChI=1S/C13H25NO3/c15-10-12-6-2-1-5-11(12)9-14-8-4-3-7-13(16)17/h11-12,14-15H,1-10H2,(H,16,17)
InChIKeyWLOOGVGAOXGNAI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.63
Rot. Bonds8

About 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid

5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid (PubChem CID 103255247) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
PubChem CID103255247
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
SMILESO=C(O)CCCCNCC1CCCCC1CO
InChIInChI=1S/C13H25NO3/c15-10-12-6-2-1-5-11(12)9-14-8-4-3-7-13(16)17/h11-12,14-15H,1-10H2,(H,16,17)
InChIKeyWLOOGVGAOXGNAI-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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

5-[(2-hydroxycyclopentyl)methylamino]pentanoic acid
CID 103255157
[2-[(4-methylsulfanylbutylamino)methyl]cyclohexyl]methanol
CID 103088118
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
5-(thian-2-ylmethylamino)pentanoic acid
CID 103257954
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
5-(thian-4-ylmethylamino)pentanoic acid
CID 103264300
5-(cycloheptylmethylamino)pentanamide
CID 106233402
N-[2-[[2-(hydroxymethyl)cyclopentyl]methylamino]ethyl]acetamide
CID 107529594
5-(cyclopentyloxyamino)pentanoic acid
CID 103262101
5-(thiolan-3-ylmethylamino)pentanoic acid
CID 107296968

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
The IUPAC name of 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid (CID 103255247) is 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid.
What is the SMILES notation for 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
The canonical SMILES for 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid is O=C(O)CCCCNCC1CCCCC1CO.
What is the InChIKey of 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
The InChIKey is WLOOGVGAOXGNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c15-10-12-6-2-1-5-11(12)9-14-8-4-3-7-13(16)17/h11-12,14-15H,1-10H2,(H,16,17).
What are the key properties of 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid?
5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid is sourced from PubChem (CID 103255247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).