azane;ethyl 4-amino-2-methylhex-2-enoate

C9H20N2O2 — CID 173072927

IUPACazane;ethyl 4-amino-2-methylhex-2-enoate
SMILESCCOC(=O)C(C)=CC(N)CC.N
InChIInChI=1S/C9H17NO2.H3N/c1-4-8(10)6-7(3)9(11)12-5-2;/h6,8H,4-5,10H2,1-3H3;1H3
InChIKeyVDTZQVOYSJWIGK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.40
Rot. Bonds4

About azane;ethyl 4-amino-2-methylhex-2-enoate

azane;ethyl 4-amino-2-methylhex-2-enoate (PubChem CID 173072927) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is azane;ethyl 4-amino-2-methylhex-2-enoate.

Molecular Properties

Compound Nameazane;ethyl 4-amino-2-methylhex-2-enoate
PubChem CID173072927
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameazane;ethyl 4-amino-2-methylhex-2-enoate
SMILESCCOC(=O)C(C)=CC(N)CC.N
InChIInChI=1S/C9H17NO2.H3N/c1-4-8(10)6-7(3)9(11)12-5-2;/h6,8H,4-5,10H2,1-3H3;1H3
InChIKeyVDTZQVOYSJWIGK-UHFFFAOYSA-N
XLogP1.40
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;ethyl 4-amino-2-methylhex-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
4-amino-2-methylhex-2-enamide
CID 73453875
ethyl 2-methyl-4-(methylamino)hex-2-enoate
CID 173010838
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl (E)-2-methyl-4-(methylamino)-4-propan-2-yliodanuidylbut-2-enoate
CID 163900618
ethyl 2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
CID 138108121
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 4-amino-2-methylhex-2-enoate?
The IUPAC name of azane;ethyl 4-amino-2-methylhex-2-enoate (CID 173072927) is azane;ethyl 4-amino-2-methylhex-2-enoate.
What is the SMILES notation for azane;ethyl 4-amino-2-methylhex-2-enoate?
The canonical SMILES for azane;ethyl 4-amino-2-methylhex-2-enoate is CCOC(=O)C(C)=CC(N)CC.N.
What is the InChIKey of azane;ethyl 4-amino-2-methylhex-2-enoate?
The InChIKey is VDTZQVOYSJWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.H3N/c1-4-8(10)6-7(3)9(11)12-5-2;/h6,8H,4-5,10H2,1-3H3;1H3.
What are the key properties of azane;ethyl 4-amino-2-methylhex-2-enoate?
azane;ethyl 4-amino-2-methylhex-2-enoate has a molecular weight of 188.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 4-amino-2-methylhex-2-enoate is sourced from PubChem (CID 173072927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).