4-[(1-hydroxycyclohexyl)methylamino]butanoic acid

C11H21NO3 — CID 65108900

IUPAC4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCC1(O)CCCCC1
InChIInChI=1S/C11H21NO3/c13-10(14)5-4-8-12-9-11(15)6-2-1-3-7-11/h12,15H,1-9H2,(H,13,14)
InChIKeyUARFKKXYWIRCLI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.14
Rot. Bonds6

About 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid

4-[(1-hydroxycyclohexyl)methylamino]butanoic acid (PubChem CID 65108900) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
PubChem CID65108900
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCC1(O)CCCCC1
InChIInChI=1S/C11H21NO3/c13-10(14)5-4-8-12-9-11(15)6-2-1-3-7-11/h12,15H,1-9H2,(H,13,14)
InChIKeyUARFKKXYWIRCLI-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.14
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

4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
CID 79394707
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815
6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
CID 81131310
3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 60909908
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid (CID 65108900) is 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid is O=C(O)CCCNCC1(O)CCCCC1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid?
The InChIKey is UARFKKXYWIRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-10(14)5-4-8-12-9-11(15)6-2-1-3-7-11/h12,15H,1-9H2,(H,13,14).
What are the key properties of 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid?
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methylamino]butanoic acid is sourced from PubChem (CID 65108900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).