2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid

C10H17NO3 — CID 102959425

IUPAC2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid
SMILESC=C(CN1CCC(C)C(O)C1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7-3-4-11(6-9(7)12)5-8(2)10(13)14/h7,9,12H,2-6H2,1H3,(H,13,14)
InChIKeyWFPPUKAEGQZYCB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.33
Rot. Bonds3

About 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid

2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid (PubChem CID 102959425) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid
PubChem CID102959425
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid
SMILESC=C(CN1CCC(C)C(O)C1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7-3-4-11(6-9(7)12)5-8(2)10(13)14/h7,9,12H,2-6H2,1H3,(H,13,14)
InChIKeyWFPPUKAEGQZYCB-UHFFFAOYSA-N
XLogP0.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic 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

4-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbut-2-enoic acid
CID 102959453
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
CID 112626149
1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898098
N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide
CID 113348089
2-[(4-propan-2-ylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 103498201
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 103898599
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 102960303
N-(cyclopropylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898008
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
CID 103484627

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid (CID 102959425) is 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid is C=C(CN1CCC(C)C(O)C1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid?
The InChIKey is WFPPUKAEGQZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-4-11(6-9(7)12)5-8(2)10(13)14/h7,9,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid?
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid is sourced from PubChem (CID 102959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).