ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate

C14H25N3O2 — CID 64704252

IUPACethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
SMILESCCOC(=O)C(C)(N)CC(C)n1ccnc1C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-19-13(18)14(5,15)9-11(4)17-8-7-16-12(17)10(2)3/h7-8,10-11H,6,9,15H2,1-5H3
InChIKeyWFJGMNPGXFSMJT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.24
Rot. Bonds6

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

ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate (PubChem CID 64704252) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
PubChem CID64704252
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
SMILESCCOC(=O)C(C)(N)CC(C)n1ccnc1C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-19-13(18)14(5,15)9-11(4)17-8-7-16-12(17)10(2)3/h7-8,10-11H,6,9,15H2,1-5H3
InChIKeyWFJGMNPGXFSMJT-UHFFFAOYSA-N
XLogP2.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704256
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
CID 64704254
ethyl 2-propan-2-ylimidazole-1-carboxylate
CID 15557002
methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
CID 64706063
ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
CID 64705267
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
CID 83439070
ethyl 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpentanoate
CID 64707722
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 63918712
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate (CID 64704252) is ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate is CCOC(=O)C(C)(N)CC(C)n1ccnc1C(C)C.
What is the InChIKey of ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
The InChIKey is WFJGMNPGXFSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-19-13(18)14(5,15)9-11(4)17-8-7-16-12(17)10(2)3/h7-8,10-11H,6,9,15H2,1-5H3.
What are the key properties of ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate?
ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate has a molecular weight of 267.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate is sourced from PubChem (CID 64704252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).