4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid

C11H22N2O3 — CID 115122599

IUPAC4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
SMILESCN1CCCC(NCC(O)CCC(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-13-6-2-3-9(8-13)12-7-10(14)4-5-11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyIJVKKFKGJIMKTL-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.10
Rot. Bonds6

About 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid

4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid (PubChem CID 115122599) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
PubChem CID115122599
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
SMILESCN1CCCC(NCC(O)CCC(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-13-6-2-3-9(8-13)12-7-10(14)4-5-11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyIJVKKFKGJIMKTL-UHFFFAOYSA-N
XLogP-0.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123524
4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
CID 115122756
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115220242
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid?
The IUPAC name of 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid (CID 115122599) is 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid?
The canonical SMILES for 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid is CN1CCCC(NCC(O)CCC(=O)O)C1.
What is the InChIKey of 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid?
The InChIKey is IJVKKFKGJIMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-13-6-2-3-9(8-13)12-7-10(14)4-5-11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid?
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 115122599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).