azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate

C11H22N2O3 — CID 87146798

IUPACazane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate
SMILESC=CC(=O)NCC(C)C(C)(C)OC(C)=O.N
InChIInChI=1S/C11H19NO3.H3N/c1-6-10(14)12-7-8(2)11(4,5)15-9(3)13;/h6,8H,1,7H2,2-5H3,(H,12,14);1H3
InChIKeyABRQZCSHKIGMIF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds5

About azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate

azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate (PubChem CID 87146798) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate.

Molecular Properties

Compound Nameazane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate
PubChem CID87146798
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameazane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate
SMILESC=CC(=O)NCC(C)C(C)(C)OC(C)=O.N
InChIInChI=1S/C11H19NO3.H3N/c1-6-10(14)12-7-8(2)11(4,5)15-9(3)13;/h6,8H,1,7H2,2-5H3,(H,12,14);1H3
InChIKeyABRQZCSHKIGMIF-UHFFFAOYSA-N
XLogP1.43
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylbutan-2-yl 3-(prop-2-enoylamino)propanoate
CID 59270025
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
Tert-butyl 3-[2-(prop-2-enoylamino)ethylamino]propanoate
CID 124175257
tert-butyl N-[4-(prop-2-enoylamino)butyl]carbamate
CID 130131628
(4-Acetamido-2-methylbutan-2-yl) prop-2-enoate
CID 132005065
Tert-butyl 3-(prop-2-enoylamino)propanoate
CID 145857039
3-(Prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
[2-Methyl-4-(prop-2-enoylamino)butyl] acetate
CID 154172423
N-[3-(aminomethoxy)-3-methylbutyl]prop-2-enamide
CID 156359848
N-(3-methyl-3-propoxybutyl)prop-2-enamide
CID 156710759
[2,3-Dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate
CID 87146799
Tert-butyl 2,2-dimethyl-3-(prop-2-enoylamino)propanoate
CID 126824924

Frequently Asked Questions

What is the IUPAC name of azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate?
The IUPAC name of azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate (CID 87146798) is azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate.
What is the SMILES notation for azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate?
The canonical SMILES for azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate is C=CC(=O)NCC(C)C(C)(C)OC(C)=O.N.
What is the InChIKey of azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate?
The InChIKey is ABRQZCSHKIGMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.H3N/c1-6-10(14)12-7-8(2)11(4,5)15-9(3)13;/h6,8H,1,7H2,2-5H3,(H,12,14);1H3.
What are the key properties of azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate?
azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[2,3-dimethyl-4-(prop-2-enoylamino)butan-2-yl] acetate is sourced from PubChem (CID 87146798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).