4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid

C15H29N3O2 — CID 64711857

IUPAC4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C15H29N3O2/c1-4-16-15(3,14(19)20)11-12(2)17-7-9-18(10-8-17)13-5-6-13/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyQQEDOEVIWUAPKU-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.00
Rot. Bonds7

About 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid

4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 64711857) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
PubChem CID64711857
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C15H29N3O2/c1-4-16-15(3,14(19)20)11-12(2)17-7-9-18(10-8-17)13-5-6-13/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyQQEDOEVIWUAPKU-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid with MolForge

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Related Compounds

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79916085
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64712033
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
4-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64704930
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 64703620
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanoic acid
CID 64710652
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid (CID 64711857) is 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)N1CCN(C2CC2)CC1)C(=O)O.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is QQEDOEVIWUAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-16-15(3,14(19)20)11-12(2)17-7-9-18(10-8-17)13-5-6-13/h12-13,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 283.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64711857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).