(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate

C10H19NO2 — CID 88722252

IUPAC(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C(C)(C)CN
InChIInChI=1S/C10H19NO2/c1-6-8(12)13-10(4,5)9(2,3)7-11/h6H,1,7,11H2,2-5H3
InChIKeyIGVTVXATALBDBU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.48
Rot. Bonds4

About (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate

(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate (PubChem CID 88722252) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate
PubChem CID88722252
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C(C)(C)CN
InChIInChI=1S/C10H19NO2/c1-6-8(12)13-10(4,5)9(2,3)7-11/h6H,1,7,11H2,2-5H3
InChIKeyIGVTVXATALBDBU-UHFFFAOYSA-N
XLogP1.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.48
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

2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
(3-amino-3-hydroxy-2-methylpentan-2-yl) prop-2-enoate
CID 87534109
2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate
CID 141069270
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate;methanol
CID 174833528
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
azane;1,1-diaminoethyl prop-2-enoate;hydrochloride
CID 175516983
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate?
The IUPAC name of (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate (CID 88722252) is (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate.
What is the SMILES notation for (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate?
The canonical SMILES for (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate is C=CC(=O)OC(C)(C)C(C)(C)CN.
What is the InChIKey of (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate?
The InChIKey is IGVTVXATALBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(12)13-10(4,5)9(2,3)7-11/h6H,1,7,11H2,2-5H3.
What are the key properties of (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate?
(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate is sourced from PubChem (CID 88722252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).