4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid

C14H26N2O2 — CID 64712033

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H26N2O2/c1-4-15-14(3,13(17)18)8-10(2)16-9-11-5-6-12(16)7-11/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyOLIABXGWVBENKS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds6

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 64712033) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
PubChem CID64712033
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H26N2O2/c1-4-15-14(3,13(17)18)8-10(2)16-9-11-5-6-12(16)7-11/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyOLIABXGWVBENKS-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711857
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)-N-ethylpentan-2-amine
CID 64706173
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316
methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114596468
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
4-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64704930
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 82752804
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114596369
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64709347

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid (CID 64712033) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)N1CC2CCC1C2)C(=O)O.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is OLIABXGWVBENKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-15-14(3,13(17)18)8-10(2)16-9-11-5-6-12(16)7-11/h10-12,15H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64712033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).