2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate

C20H36N2O4 — CID 175332006

IUPAC2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
SMILESC=C(C)C(=O)OC[C@H](N)C=C(C)C(=O)OCCN(CCCC)CCCC
InChIInChI=1S/C20H36N2O4/c1-6-8-10-22(11-9-7-2)12-13-25-20(24)17(5)14-18(21)15-26-19(23)16(3)4/h14,18H,3,6-13,15,21H2,1-2,4-5H3/t18-/m1/s1
InChIKeyBYCKEKCPSCABCB-GOSISDBHSA-N
MW368.52 g/mol
LogP2.82
Rot. Bonds14

About 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate

2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate (PubChem CID 175332006) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
PubChem CID175332006
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
SMILESC=C(C)C(=O)OC[C@H](N)C=C(C)C(=O)OCCN(CCCC)CCCC
InChIInChI=1S/C20H36N2O4/c1-6-8-10-22(11-9-7-2)12-13-25-20(24)17(5)14-18(21)15-26-19(23)16(3)4/h14,18H,3,6-13,15,21H2,1-2,4-5H3/t18-/m1/s1
InChIKeyBYCKEKCPSCABCB-GOSISDBHSA-N
XLogP2.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-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

2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid
CID 175331995
2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate
CID 171502645
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
N,N-didodecyldodecan-1-amine;3-sulfonylpropyl 2-methylprop-2-enoate
CID 172722261
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-[2-[2-(dipropylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139824188
2-butoxybut-3-enyl 2-methylprop-2-enoate
CID 102248308
octadecyl 2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
CID 57086036
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate?
The IUPAC name of 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate (CID 175332006) is 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate.
What is the SMILES notation for 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate?
The canonical SMILES for 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate is C=C(C)C(=O)OC[C@H](N)C=C(C)C(=O)OCCN(CCCC)CCCC.
What is the InChIKey of 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate?
The InChIKey is BYCKEKCPSCABCB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-6-8-10-22(11-9-7-2)12-13-25-20(24)17(5)14-18(21)15-26-19(23)16(3)4/h14,18H,3,6-13,15,21H2,1-2,4-5H3/t18-/m1/s1.
What are the key properties of 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate?
2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate has a molecular weight of 368.52 g/mol, XLogP of 2.82, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate is sourced from PubChem (CID 175332006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).