2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid

C15H29N3O2 — CID 63927044

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
SMILESCCNC(CN1CCN(CC)C(C)C1)(C(=O)O)C1CC1
InChIInChI=1S/C15H29N3O2/c1-4-16-15(14(19)20,13-6-7-13)11-17-8-9-18(5-2)12(3)10-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyASWVFEBPMHBMCZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.86
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid (PubChem CID 63927044) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
PubChem CID63927044
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
SMILESCCNC(CN1CCN(CC)C(C)C1)(C(=O)O)C1CC1
InChIInChI=1S/C15H29N3O2/c1-4-16-15(14(19)20,13-6-7-13)11-17-8-9-18(5-2)12(3)10-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyASWVFEBPMHBMCZ-UHFFFAOYSA-N
XLogP0.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propanoic acid
CID 63927246
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
CID 103538194
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64788433
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid (CID 63927044) is 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid is CCNC(CN1CCN(CC)C(C)C1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
The InChIKey is ASWVFEBPMHBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-16-15(14(19)20,13-6-7-13)11-17-8-9-18(5-2)12(3)10-17/h12-13,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid has a molecular weight of 283.42 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63927044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).