methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate

C15H29N3O2 — CID 63635966

IUPACmethyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(CN1CCN(C)C(C)(C)C1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-14(2)10-18(9-8-17(14)4)11-15(3,13(19)20-5)16-12-6-7-12/h12,16H,6-11H2,1-5H3
InChIKeyUVJGEIOEYKYYFR-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds5

About methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate

methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate (PubChem CID 63635966) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
PubChem CID63635966
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(CN1CCN(C)C(C)(C)C1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-14(2)10-18(9-8-17(14)4)11-15(3,13(19)20-5)16-12-6-7-12/h12,16H,6-11H2,1-5H3
InChIKeyUVJGEIOEYKYYFR-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103537978
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
CID 62930268
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 63159620
4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
CID 114228996
2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926025
2-amino-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790408
2-cyclopropyl-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63927047
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate (CID 63635966) is methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate is COC(=O)C(C)(CN1CCN(C)C(C)(C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
The InChIKey is UVJGEIOEYKYYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2)10-18(9-8-17(14)4)11-15(3,13(19)20-5)16-12-6-7-12/h12,16H,6-11H2,1-5H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate?
methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate has a molecular weight of 283.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate is sourced from PubChem (CID 63635966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).