4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid

C10H19NO3 — CID 88520661

IUPAC4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
SMILESC=CCN(CCO)CCC(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-11(7-8-12)6-4-9(2)10(13)14/h3,9,12H,1,4-8H2,2H3,(H,13,14)
InChIKeyGMTNLPYMGJOOPT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.58
Rot. Bonds8

About 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid

4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid (PubChem CID 88520661) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
PubChem CID88520661
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
SMILESC=CCN(CCO)CCC(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-11(7-8-12)6-4-9(2)10(13)14/h3,9,12H,1,4-8H2,2H3,(H,13,14)
InChIKeyGMTNLPYMGJOOPT-UHFFFAOYSA-N
XLogP0.58
TPSA60.77 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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid (CID 88520661) is 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid is C=CCN(CCO)CCC(C)C(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid?
The InChIKey is GMTNLPYMGJOOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-11(7-8-12)6-4-9(2)10(13)14/h3,9,12H,1,4-8H2,2H3,(H,13,14).
What are the key properties of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid?
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 88520661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).