2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid

C16H31N3O2 — CID 64710184

IUPAC2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
SMILESCC(C)N1CCN(C(C)CC(C)(NC2CC2)C(=O)O)CC1
InChIInChI=1S/C16H31N3O2/c1-12(2)18-7-9-19(10-8-18)13(3)11-16(4,15(20)21)17-14-5-6-14/h12-14,17H,5-11H2,1-4H3,(H,20,21)
InChIKeyOZQOJLYKRGCPSO-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.39
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid

2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid (PubChem CID 64710184) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
PubChem CID64710184
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
SMILESCC(C)N1CCN(C(C)CC(C)(NC2CC2)C(=O)O)CC1
InChIInChI=1S/C16H31N3O2/c1-12(2)18-7-9-19(10-8-18)13(3)11-16(4,15(20)21)17-14-5-6-14/h12-14,17H,5-11H2,1-4H3,(H,20,21)
InChIKeyOZQOJLYKRGCPSO-UHFFFAOYSA-N
XLogP1.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
CID 104691548
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711857
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64708762
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
CID 64704169
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64705445
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid (CID 64710184) is 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid is CC(C)N1CCN(C(C)CC(C)(NC2CC2)C(=O)O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is OZQOJLYKRGCPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)18-7-9-19(10-8-18)13(3)11-16(4,15(20)21)17-14-5-6-14/h12-14,17H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid?
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 297.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 64710184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).