2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate

C9H17NO3 — CID 57150431

IUPAC2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCC(C)O
InChIInChI=1S/C9H17NO3/c1-7(2)9(12)13-5-4-10-6-8(3)11/h8,10-11H,1,4-6H2,2-3H3
InChIKeyJCAXMYCYRTVZKF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.08
Rot. Bonds6

About 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate

2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate (PubChem CID 57150431) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate
PubChem CID57150431
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCC(C)O
InChIInChI=1S/C9H17NO3/c1-7(2)9(12)13-5-4-10-6-8(3)11/h8,10-11H,1,4-6H2,2-3H3
InChIKeyJCAXMYCYRTVZKF-UHFFFAOYSA-N
XLogP0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate (CID 57150431) is 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCC(C)O.
What is the InChIKey of 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is JCAXMYCYRTVZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)9(12)13-5-4-10-6-8(3)11/h8,10-11H,1,4-6H2,2-3H3.
What are the key properties of 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate?
2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 187.24 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 57150431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).