methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate

C15H31N3O2 — CID 114539267

IUPACmethyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(CN1CC(C)N(C)C(C)C1)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-11(2)16-15(5,14(19)20-7)10-18-8-12(3)17(6)13(4)9-18/h11-13,16H,8-10H2,1-7H3
InChIKeyHAPFHERBQAGCQY-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.94
Rot. Bonds5

About methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate

methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate (PubChem CID 114539267) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
PubChem CID114539267
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Namemethyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(CN1CC(C)N(C)C(C)C1)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-11(2)16-15(5,14(19)20-7)10-18-8-12(3)17(6)13(4)9-18/h11-13,16H,8-10H2,1-7H3
InChIKeyHAPFHERBQAGCQY-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 113418645
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
methyl 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 81463972
methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate
CID 62973498
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539433
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539368
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate (CID 114539267) is methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate is COC(=O)C(C)(CN1CC(C)N(C)C(C)C1)NC(C)C.
What is the InChIKey of methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate?
The InChIKey is HAPFHERBQAGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-11(2)16-15(5,14(19)20-7)10-18-8-12(3)17(6)13(4)9-18/h11-13,16H,8-10H2,1-7H3.
What are the key properties of methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate?
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate has a molecular weight of 285.43 g/mol, XLogP of 0.94, 5 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)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate is sourced from PubChem (CID 114539267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).