methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate

C16H29N3O2 — CID 64704256

IUPACmethyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
SMILESCOC(=O)C(C)(CC(C)n1ccnc1C(C)C)NC(C)C
InChIInChI=1S/C16H29N3O2/c1-11(2)14-17-8-9-19(14)13(5)10-16(6,15(20)21-7)18-12(3)4/h8-9,11-13,18H,10H2,1-7H3
InChIKeyDAYSRRIDYHNSMN-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.89
Rot. Bonds7

About methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate

methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate (PubChem CID 64704256) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
PubChem CID64704256
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Namemethyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
SMILESCOC(=O)C(C)(CC(C)n1ccnc1C(C)C)NC(C)C
InChIInChI=1S/C16H29N3O2/c1-11(2)14-17-8-9-19(14)13(5)10-16(6,15(20)21-7)18-12(3)4/h8-9,11-13,18H,10H2,1-7H3
InChIKeyDAYSRRIDYHNSMN-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
The IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate (CID 64704256) is methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate is COC(=O)C(C)(CC(C)n1ccnc1C(C)C)NC(C)C.
What is the InChIKey of methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
The InChIKey is DAYSRRIDYHNSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(2)14-17-8-9-19(14)13(5)10-16(6,15(20)21-7)18-12(3)4/h8-9,11-13,18H,10H2,1-7H3.
What are the key properties of methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate has a molecular weight of 295.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate is sourced from PubChem (CID 64704256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).