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

C10H20N2O3 — CID 115122911

IUPAC3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
SMILESCN1CCCC(NCC(O)CC(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-12-4-2-3-8(7-12)11-6-9(13)5-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyGHBQDXPCTYQEOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.49
Rot. Bonds5

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

3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid (PubChem CID 115122911) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
PubChem CID115122911
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
SMILESCN1CCCC(NCC(O)CC(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-12-4-2-3-8(7-12)11-6-9(13)5-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyGHBQDXPCTYQEOM-UHFFFAOYSA-N
XLogP-0.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115220242
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123524
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
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234
4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid
CID 103256634
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid (CID 115122911) is 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid is CN1CCCC(NCC(O)CC(=O)O)C1.
What is the InChIKey of 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The InChIKey is GHBQDXPCTYQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12-4-2-3-8(7-12)11-6-9(13)5-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 115122911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).