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

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Related Compounds

ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704252
2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
CID 64704254
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
methyl 2-methyl-2-(propan-2-ylamino)-4-(1,2,4-triazol-1-yl)pentanoate
CID 64705076
2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid
CID 64707106
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
methyl 4-(benzimidazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705069
methyl 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 107781939
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708137
ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64708562
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417

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).