3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid

C11H17NO4 — CID 87666985

IUPAC3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)N(C=C(C)C(=O)O)CCCO
InChIInChI=1S/C11H17NO4/c1-8(2)10(14)12(5-4-6-13)7-9(3)11(15)16/h7,13H,1,4-6H2,2-3H3,(H,15,16)
InChIKeyCSSXXTXKESZMFW-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.76
Rot. Bonds6

About 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid

3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid (PubChem CID 87666985) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid
PubChem CID87666985
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)N(C=C(C)C(=O)O)CCCO
InChIInChI=1S/C11H17NO4/c1-8(2)10(14)12(5-4-6-13)7-9(3)11(15)16/h7,13H,1,4-6H2,2-3H3,(H,15,16)
InChIKeyCSSXXTXKESZMFW-UHFFFAOYSA-N
XLogP0.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-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

N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582937
ethane;N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582936
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
CID 162080940
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
2-bromoethanol;2-methylprop-2-enoic acid
CID 163915230
N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128662
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
decan-1-ol;2-methylprop-2-enoic acid
CID 174640538

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid (CID 87666985) is 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid is C=C(C)C(=O)N(C=C(C)C(=O)O)CCCO.
What is the InChIKey of 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid?
The InChIKey is CSSXXTXKESZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(2)10(14)12(5-4-6-13)7-9(3)11(15)16/h7,13H,1,4-6H2,2-3H3,(H,15,16).
What are the key properties of 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid?
3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(2-methylprop-2-enoyl)amino]-2-methylprop-2-enoic acid is sourced from PubChem (CID 87666985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).