2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate

C9H17NO2 — CID 18325548

IUPAC2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-6-5-10-8(3)4/h8,10H,1,5-6H2,2-4H3
InChIKeyLSZFFPVDPBVFRO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate

2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate (PubChem CID 18325548) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate
PubChem CID18325548
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-6-5-10-8(3)4/h8,10H,1,5-6H2,2-4H3
InChIKeyLSZFFPVDPBVFRO-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 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 ≤ 51.10
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate (CID 18325548) is 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is LSZFFPVDPBVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)12-6-5-10-8(3)4/h8,10H,1,5-6H2,2-4H3.
What are the key properties of 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate?
2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18325548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).