(2-amino-2-ethylbutyl) prop-2-enoate

C9H17NO2 — CID 57112910

IUPAC(2-amino-2-ethylbutyl) prop-2-enoate
SMILESC=CC(=O)OCC(N)(CC)CC
InChIInChI=1S/C9H17NO2/c1-4-8(11)12-7-9(10,5-2)6-3/h4H,1,5-7,10H2,2-3H3
InChIKeyPQEIUHAEVBGEFW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.23
Rot. Bonds5

About (2-amino-2-ethylbutyl) prop-2-enoate

(2-amino-2-ethylbutyl) prop-2-enoate (PubChem CID 57112910) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-amino-2-ethylbutyl) prop-2-enoate.

Molecular Properties

Compound Name(2-amino-2-ethylbutyl) prop-2-enoate
PubChem CID57112910
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2-amino-2-ethylbutyl) prop-2-enoate
SMILESC=CC(=O)OCC(N)(CC)CC
InChIInChI=1S/C9H17NO2/c1-4-8(11)12-7-9(10,5-2)6-3/h4H,1,5-7,10H2,2-3H3
InChIKeyPQEIUHAEVBGEFW-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);hydroxymethyl prop-2-enoate;propane
CID 173172748
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
2,2-bis(prop-2-enoyloxymethyl)butyl but-3-enoate
CID 166944180
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;methane;4-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 161238542
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] (E)-hex-3-enedioate
CID 170682315
[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 175965047
diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
CID 156790116

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-ethylbutyl) prop-2-enoate?
The IUPAC name of (2-amino-2-ethylbutyl) prop-2-enoate (CID 57112910) is (2-amino-2-ethylbutyl) prop-2-enoate.
What is the SMILES notation for (2-amino-2-ethylbutyl) prop-2-enoate?
The canonical SMILES for (2-amino-2-ethylbutyl) prop-2-enoate is C=CC(=O)OCC(N)(CC)CC.
What is the InChIKey of (2-amino-2-ethylbutyl) prop-2-enoate?
The InChIKey is PQEIUHAEVBGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(11)12-7-9(10,5-2)6-3/h4H,1,5-7,10H2,2-3H3.
What are the key properties of (2-amino-2-ethylbutyl) prop-2-enoate?
(2-amino-2-ethylbutyl) prop-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-ethylbutyl) prop-2-enoate is sourced from PubChem (CID 57112910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).