2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid

C10H19NO3 — CID 103267625

IUPAC2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCCOCC(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(2)7-14-5-4-11-6-9(3)10(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRGLRFQSIFLFDGI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.89
Rot. Bonds8

About 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid

2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid (PubChem CID 103267625) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid
PubChem CID103267625
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCCOCC(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(2)7-14-5-4-11-6-9(3)10(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRGLRFQSIFLFDGI-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(2-methylpropoxy)ethylamino]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

2-[[(3-hydroxy-4-methoxybutyl)amino]methyl]prop-2-enoic acid
CID 106248282
2-[[(3-methoxy-2-methylpropyl)amino]methyl]prop-2-enoic acid
CID 103245619
2-[[(5-hydroxy-4-methylpentyl)amino]methyl]prop-2-enoic acid
CID 106162293
2-[(2-methylsulfanylethylamino)methyl]prop-2-enoic acid
CID 103251014
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]prop-2-enoic acid
CID 103245953
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
3-(2-methylpropoxy)propanoic acid
CID 15033462

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid (CID 103267625) is 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid is C=C(CNCCOCC(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid?
The InChIKey is RGLRFQSIFLFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)7-14-5-4-11-6-9(3)10(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid?
2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103267625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).